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Product No: CQ2746

3-Methoxysalicylic acid, 98%

Name: 3-Methoxysalicylic acid
Brand: Chempure

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CAS Number

877-22-5

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About this item

IUPAC name	2-hydroxy-3-methoxybenzoic acid
canonical smiles	COC1=CC=CC(=C1O)C(=O)O
inchi	InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
inchi key	AUZQQIPZESHNMG-UHFFFAOYSA-N
molecular formula	C8H8O4
synonyms	3-Methoxysalicylic acid 2-Hydroxy-3-methoxybenzoic acid 877-22-5 o-Vanillic acid Benzoic acid, 2-hydroxy-3-methoxy-
Compound Description	3-methoxysalicylic acid is benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3. It has a role as a metabolite. 2-Hydroxy-3-methoxybenzoic acid is a natural product found in Colchicum decaisnei, Salvia divaricata, and other organisms with data available.

Computed Properties

Molecular Weight:	168.15 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	168.04225873 g/mol
Monoisotopic Mass:	168.04225873 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	168
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Nicotinic acid

4-Aminosalicylic acid

Vanillic Acid

L-Pyroglutamic acid

3-Hydroxyanthranilic acid

2,6-Dimethoxyphenol

Isonicotinic acid

2,4-Dihydroxybenzoic acid

2,3-Dihydroxybenzoic acid

3-Methoxybenzoic acid

2,6-Dihydroxybenzoic acid

2-Thiophenecarboxylic acid

3,5-Dichloro-4-hydroxybenzoic acid

3-Chlorobenzoic acid

4-Pyridoxic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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About this item

Documentation

Certificate of Analysis

Lot Number

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	2-hydroxy-3-methoxybenzoic acid
canonical smiles	COC1=CC=CC(=C1O)C(=O)O
inchi	InChI=1S/C8H8O4/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4,9H,1H3,(H,10,11)
inchi key	AUZQQIPZESHNMG-UHFFFAOYSA-N
molecular formula	C8H8O4
synonyms	3-Methoxysalicylic acid 2-Hydroxy-3-methoxybenzoic acid 877-22-5 o-Vanillic acid Benzoic acid, 2-hydroxy-3-methoxy-
Compound Description	3-methoxysalicylic acid is benzoic acid substituted with a hydroxy group at position C-2 and a methoxy group at position C-3. It has a role as a metabolite. 2-Hydroxy-3-methoxybenzoic acid is a natural product found in Colchicum decaisnei, Salvia divaricata, and other organisms with data available.

Computed Properties

Molecular Weight:	168.15 g/mol
XLogP3:	1.9
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	2
Exact Mass:	168.04225873 g/mol
Monoisotopic Mass:	168.04225873 g/mol
Topological Polar Surface Area:	66.8 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	168
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Nicotinic acid

4-Aminosalicylic acid

Vanillic Acid

L-Pyroglutamic acid

3-Hydroxyanthranilic acid

2,6-Dimethoxyphenol

Isonicotinic acid

2,4-Dihydroxybenzoic acid

2,3-Dihydroxybenzoic acid

3-Methoxybenzoic acid

2,6-Dihydroxybenzoic acid

2-Thiophenecarboxylic acid

3,5-Dichloro-4-hydroxybenzoic acid

3-Chlorobenzoic acid

4-Pyridoxic acid

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: CQ2746

3-Methoxysalicylic acid, 98%

Product No: CQ2746

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: CQ2746

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?