3-(Methoxycarbonyl)phenylacetic Acid - CAS 52787-19-6

Catalog:	BB027950
Product Name:	3-(Methoxycarbonyl)phenylacetic Acid
CAS:	52787-19-6
Synonyms:	2-(3-methoxycarbonylphenyl)acetic acid; 2-(3-methoxycarbonylphenyl)acetic acid

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Computed Properties

IUPAC Name:	2-(3-methoxycarbonylphenyl)acetic acid
Description:	3-(Methoxycarbonyl)phenylacetic Acid (CAS# 52787-19-6) is a useful research chemical.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	COC(=O)C1=CC(=CC=C1)CC(=O)O
InChI:	InChI=1S/C10H10O4/c1-14-10(13)8-4-2-3-7(5-8)6-9(11)12/h2-5H,6H2,1H3,(H,11,12)
InChI Key:	DLWWJGQWXNOQCE-UHFFFAOYSA-N
LogP:	1.10030

Publication Number	Title	Priority Date
US-10508088-B2	Methods using HDAC11 inhibitors	20161020
US-10538496-B2	Methods using HDAC11 inhibitors	20161020
US-2018127386-A1	Methods using hdac11 inhibitors	20161020
US-2019084945-A1	Methods using hdac11 inhibitors	20161020
US-2019084946-A1	Methods using hdac11 inhibitors	20161020

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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+P312, 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:	1.5