AG001EVR

147404-69-1 | 4'-Methylbiphenyl-3-carboxylic acid

AG001EVR

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CAS Number	147404-69-1
Catalog Number	AG001EVR(AGN-PC-0KKVTV)
Chemical Name	4'-Methylbiphenyl-3-carboxylic acid
IUPAC Name	3-(4-methylphenyl)benzoic acid
InChI	InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key	APYJGQZXCGXMGB-UHFFFAOYSA-N
MDL Number	MFCD00452725
Molecular Formula	C14H12O2
Molecular Weight	212.2439
SMILES	O=C(C1=CC(C2=CC=C(C)C=C2)=CC=C1)O
Synonyms	147404-69-1, 4'-Methylbiphenyl-3-carboxylic acid, 4'-Methyl-[1,1'-biphenyl]-3-carboxylic acid, 3-(4-methylphenyl)benzoic Acid, 4'-Methyl-biphenyl-3-carboxylic acid, 4'-methyl-3-biphenylcarboxylic acid, MFCD00452725, 4'-methyl[1,1'-biphenyl]-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylicacid, 4'-methyl-, [1,1'-Biphenyl]-3-carboxylic acid, 4'-methyl-, 4'-Methylbiphenyl-3-carboxylic acid, AldrichCPR, PubChem9064, ACMC-20aih3, AC1MCNR0, 3-(p-Tolyl)benzoic acid, AMTDA023, SCHEMBL121436, CHEMBL2089278, CTK0H8095, DTXSID40378811, APYJGQZXCGXMGB-UHFFFAOYSA-N, BM099, ZINC2565544, ANW-74869, SBB053448, 4'-Cyanobenzylidene-4-hexyloxyaniline, 4'-methyl biphenyl-3-carboxylic acid, AKOS002679748, AS-2068, MCULE-7068798839, RTR-005881, AJ-41126, SC-49198, TR-019380, 4'-methyl-1,1'-biphenyl-3-carboxylic acid, BB 0222353, FT-0654040, ST24042463, ST50949655, KS-00002272, B-3276, J-008353, 4 inverted exclamation mark Methylbiphenyl-3-carboxylic acid, C14H12O2, CID2773978, 54842-56-7,

Complexity	241
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	212.248g/mol
Monoisotopic Mass	212.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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