3-(3-Methoxycarbonylphenyl)benzoic acid - CAS 893736-81-7

Name: 3-(3-Methoxycarbonylphenyl)benzoic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB059361
Product Name:	3-(3-Methoxycarbonylphenyl)benzoic acid
CAS:	893736-81-7
Synonyms:	3-(3-Methoxycarbonylphenyl)benzoic acid; 3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid; 3'-(Methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid; 3'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylicacid

Technical Data

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Patents

Computed Properties

IUPAC Name:	3-(3-methoxycarbonylphenyl)benzoic acid
Description:	3-(3-Methoxycarbonylphenyl)benzoic acid
Molecular Weight:	241.24
Molecular Formula:	C14H11NO3
Canonical SMILES:	COC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)O
InChI:	InChI=1S/C15H12O4/c1-19-15(18)13-7-3-5-11(9-13)10-4-2-6-12(8-10)14(16)17/h2-9H,1H3,(H,16,17)
InChI Key:	CJWQBLCGSMIQJV-UHFFFAOYSA-N

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
AU-2008307575-A1	N-hydroxy-naphthalene dicarboxamide and N-hydroxy-biphenyl-dicarboxamide compounds as histone deacetylase inhibitors	20071004
CA-2701115-A1	N-hydroxy-naphthalene dicarboxamide and n-hydroxy-biphenyl-dicarboxamide compounds as histone deacetylase inhibitors	20071004
EP-2205070-A1	N-hydroxy-naphthalene dicarboxamide and n-hydroxy-biphenyl-dicarboxamide compounds as histone deacetylase inhibitors	20071004
JP-2010540630-A	N-hydroxy-naphthalenedicarboxamide and N-hydroxy-biphenyl-dicarboxamide compounds as histone deacetylase inhibitors	20071004
US-2010216796-A1	N-hydroxy-naphthalene dicarboxamide and n-hydroxy-biphenyl-dicarboxamide compounds as histone deacetylase inhibitors	20071004
WO-2009045385-A1	N-hydroxy-naphthalene dicarboxamide and n-hydroxy-biphenyl-dicarboxamide compounds as histone deacetylase inhibitors	20071004
CN-101808990-A	Piperidine derivative as modulators of chemokine receptor activity	20070724
CN-101808990-B	Piperidine derivatives as modulators of chemokine receptor activity	20070724
EP-2173714-A1	Piperidine derivatives as modulators of chemokine receptor activity	20070724
EP-2173714-B1	Piperidine derivatives as modulators of chemokine receptor activity	20070724

Complexity:	339
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.07355886
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.07355886
Rotatable Bond Count:	4
Topological Polar Surface Area:	63.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6