3-(4-Methoxycarbonylphenyl)benzoic acid - CAS 579510-89-7

Catalog:	BB076130
Product Name:	3-(4-Methoxycarbonylphenyl)benzoic acid
CAS:	579510-89-7
Synonyms:	3-(4-Methoxycarbonylphenyl)benzoic acid; 4'-(Methoxycarbonyl)-[1,1'-biphenyl]-3-carboxylic acid; 4'-(Methoxycarbonyl)[1,1'-biphenyl]-3-carboxylic acid; METHYL 4-(3-CARBOXYPHENYL)BENZOATE

Technical Data

Computed Properties

IUPAC Name:	3-(4-methoxycarbonylphenyl)benzoic acid
Description:	3-(4-Methoxycarbonylphenyl)benzoic acid
Molecular Weight:	256.25
Molecular Formula:	C15H12O4
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
InChI:	InChI=1S/C15H12O4/c1-19-15(18)11-7-5-10(6-8-11)12-3-2-4-13(9-12)14(16)17/h2-9H,1H3,(H,16,17)
InChI Key:	JQFDHVOVMCNCDZ-UHFFFAOYSA-N

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Complexity:	331
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