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Product No: CK9213

4-Benzyloxyphenylacetic acid, 98%

Name: 4-Benzyloxyphenylacetic acid
Brand: Chempure

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CAS Number

6547-53-1

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About this item

IUPAC name	2-(4-phenylmethoxyphenyl)acetic acid
canonical smiles	C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
inchi	InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
inchi key	XJHGAJLIKDAOPE-UHFFFAOYSA-N
molecular formula	C15H14O3
synonyms	4-Benzyloxyphenylacetic acid 6547-53-1 2-(4-(benzyloxy)phenyl)acetic acid (4-Benzyloxy)phenylacetic acid 2-(4-phenylmethoxyphenyl)acetic acid

Computed Properties

Molecular Weight:	242.27 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	5
Exact Mass:	242.094294304 g/mol
Monoisotopic Mass:	242.094294304 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	251
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

Indoprofen

4-Methoxyphenylacetic acid

Indobufen

p-Tolyl phenylacetate

4-Methoxybenzyl phenylacetate

4-Ethoxyphenylacetic acid

Isoxepac

4-(4-Methoxyphenyl)butyric acid

4'-Benzyloxyacetophenone

3-(4-Benzyloxyphenyl)propionic acid

(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid

2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic Acid

2-(4-Ethoxyphenyl)-2-methylpropanoic acid

1-{4-[(4-Chlorobenzyl)oxy]phenyl}ethanone

Methyl 4-benzyloxybenzoate

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

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CAS #

*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-(4-phenylmethoxyphenyl)acetic acid
canonical smiles	C1=CC=C(C=C1)COC2=CC=C(C=C2)CC(=O)O
inchi	InChI=1S/C15H14O3/c16-15(17)10-12-6-8-14(9-7-12)18-11-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,16,17)
inchi key	XJHGAJLIKDAOPE-UHFFFAOYSA-N
molecular formula	C15H14O3
synonyms	4-Benzyloxyphenylacetic acid 6547-53-1 2-(4-(benzyloxy)phenyl)acetic acid (4-Benzyloxy)phenylacetic acid 2-(4-phenylmethoxyphenyl)acetic acid

Computed Properties

Molecular Weight:	242.27 g/mol
XLogP3:	2.7
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	5
Exact Mass:	242.094294304 g/mol
Monoisotopic Mass:	242.094294304 g/mol
Topological Polar Surface Area:	46.5 Å²
Heavy Atom Count:	18
Formal Charge:	0
Complexity:	251
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

Indoprofen

4-Methoxyphenylacetic acid

Indobufen

p-Tolyl phenylacetate

4-Methoxybenzyl phenylacetate

4-Ethoxyphenylacetic acid

Isoxepac

4-(4-Methoxyphenyl)butyric acid

4'-Benzyloxyacetophenone

3-(4-Benzyloxyphenyl)propionic acid

(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid

2-[3,5-dibromo-4-(cyclohexylmethoxy)phenyl]acetic Acid

2-(4-Ethoxyphenyl)-2-methylpropanoic acid

1-{4-[(4-Chlorobenzyl)oxy]phenyl}ethanone

Methyl 4-benzyloxybenzoate

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: CK9213

4-Benzyloxyphenylacetic acid, 98%

Product No: CK9213

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: CK9213

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?