3,5-Dimethoxybenzoic acid, 98%

Name: 3,5-Dimethoxybenzoic acid
Brand: Chempure

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CAS Number

1132-21-4

Molecular Weight

182.17

Formula

C9H10O4

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IUPAC name	3,5-dimethoxybenzoic acid
inchi	InChI=1S/C9H10O4/c1-12-7-3-6(9(10)11)4-8(5-7)13-2/h3-5H,1-2H3,(H,10,11)
inchi key	IWPZKOJSYQZABD-UHFFFAOYSA-N
molecular formula	C9H10O4
synonyms	3,5-DIMETHOXYBENZOIC ACID 1132-21-4 Benzoic acid, 3,5-dimethoxy- MFCD00002502 UNII-38MY78ECKK
Compound Description	3,5-dimethoxybenzoic acid is a methoxybenzoic acid that is benzoic acid which is substituted by methoxy groups at positions 3 and 5. It has a role as a plant metabolite. It is a conjugate acid of a 3,5-dimethoxybenzoate. 3,5-Dimethoxybenzoic acid has been reported in Calophyllum polyanthum and Melia azedarach with data available.

Computed Properties

Molecular Weight:	182.17 g/mol
XLogP3:	2.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	3
Exact Mass:	182.05790880 g/mol
Monoisotopic Mass:	182.05790880 g/mol
Topological Polar Surface Area:	55.8 Å²
Heavy Atom Count:	13
Formal Charge:	0
Complexity:	169
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

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (97.9%)
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 (97.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
hazards summary	A skin and strong eye irritant. See 2-Methoxybenzoic acid.

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Product No: AQ7551

3,5-Dimethoxybenzoic acid, 98%

Product No: AQ7551

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