3'-Methoxy-4'-methylbiphenyl-3-carboxylic acid - CAS 1215206-59-9

Catalog:	BB059351
Product Name:	3'-Methoxy-4'-methylbiphenyl-3-carboxylic acid
CAS:	1215206-59-9
Synonyms:	3'-METHOXY-4'-METHYLBIPHENYL-3-CARBOXYLIC ACID; 3-(3-methoxy-4-methylphenyl)benzoic acid; 3-Methoxy-4-methylbiphenyl-3-carboxylic acid; 3'-Methoxy-4'-methyl biphenyl-3-carboxylic acid; 3'-methoxy-4'-methylbiphenyl-3-carboxylicacid

Technical Data

Computed Properties

IUPAC Name:	3-(3-methoxy-4-methylphenyl)benzoic acid
Description:	3'-Methoxy-4'-methylbiphenyl-3-carboxylic acid
Molecular Weight:	242.27
Molecular Formula:	C15H14O3
Canonical SMILES:	CC1=C(C=C(C=C1)C2=CC(=CC=C2)C(=O)O)OC
InChI:	InChI=1S/C15H14O3/c1-10-6-7-12(9-14(10)18-2)11-4-3-5-13(8-11)15(16)17/h3-9H,1-2H3,(H,16,17)
InChI Key:	SLWJRQGPKGBLCZ-UHFFFAOYSA-N

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Complexity:	290
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.094294304
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	242.094294304
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4