2-[2-(methoxycarbonyl)phenyl]acetic acid - CAS 14736-49-3

Catalog:	BB010191
Product Name:	2-[2-(methoxycarbonyl)phenyl]acetic acid
CAS:	14736-49-3
Synonyms:	2-(2-methoxycarbonylphenyl)acetic acid; 2-(2-methoxycarbonylphenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(2-methoxycarbonylphenyl)acetic acid
Description:	2-[2-(methoxycarbonyl)phenyl]acetic acid (CAS# 14736-49-3) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	COC(=O)C1=CC=CC=C1CC(=O)O
InChI:	InChI=1S/C10H10O4/c1-14-10(13)8-5-3-2-4-7(8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChI Key:	UFUWTDVWSUXJEH-UHFFFAOYSA-N
LogP:	1.10030

Publication Number	Title	Priority Date
JP-2017160247-A	Synthetic macrocyclic compounds with fixed conformation	20170510
TW-201821549-A	Pigment composition, coloring composition, and color hardening composition	20160707
TW-201739846-A	Compound and coloring composition	20160201
TW-I712654-B	Compound and coloring composition	20160201
JP-2015155430-A	Synthetic macrocyclic compounds with fixed conformation	20150402

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Related Functional Groups

Carbonyl Compounds

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[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
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[55441-25-3]
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	224
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05790880
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.05790880
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8