AG00EBPF

5748-43-6 | 4-(2-Methylphenyl)benzoic acid

AG00EBPF

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CAS Number	5748-43-6
Catalog Number	AG00EBPF(AGN-PC-0KKNI0)
Chemical Name	4-(2-Methylphenyl)benzoic acid
IUPAC Name	4-(2-methylphenyl)benzoic acid
InChI	InChI=1S/C14H12O2/c1-10-4-2-3-5-13(10)11-6-8-12(9-7-11)14(15)16/h2-9H,1H3,(H,15,16)
InChI Key	NDNIPPKLIDCYGD-UHFFFAOYSA-N
MDL Number	MFCD03424591
Molecular Formula	C14H12O2
Molecular Weight	212.2439
SMILES	O=C(C1=CC=C(C2=CC=CC=C2C)C=C1)O
Synonyms	5748-43-6, 4-(2-methylphenyl)benzoic Acid, 2'-Methyl-biphenyl-4-carboxylic acid, 2'-methyl-[1,1'-biphenyl]-4-carboxylic acid, 2'-methylbiphenyl-4-carboxylic acid, 2'-methyl[1,1'-biphenyl]-4-carboxylic acid, CHEMBL105876, 2'-methyl [1,1'-biphenyl]-4-carboxylic acid, [1,1'-Biphenyl]-4-carboxylicacid, 2'-methyl-, ACMC-209lyi, 4-(o-tolyl)-benzoic acid, AC1MC19T, AMTDA073, 2-(4-Carboxyphenyl)toluene, 4-Carboxy-2'-methylbiphenyl, SCHEMBL2772423, CTK1H2929, DTXSID40374919, NDNIPPKLIDCYGD-UHFFFAOYSA-N, ZINC2574058, 2'-methyl-4-biphenylcarboxylic acid, ANW-32728, BDBM50060989, MFCD03424591, AKOS002683493, 2''-Methyl-biphenyl-4-carboxylic acid, AS-2104, RP26675, VZ34281, KS-000019M8, AJ-42176, AM807454, AB0009199, DB-072314, TC-121473, 2'-methyl[1,1'-biphenyl]4-carboxylic acid, 2-Methyl-[1,1-biphenyl]-4-carboxylic acid, BB 0222357, CS-0036720, FT-0719049, 2'-methyl[1,1'-biphenyl-]4-carboxylic acid, M-2067, 748M436, J-510044, I01-11465, 3-(Pyrazin-2-yl)propanoic acid, C14H12O2, 4-Biphenylcarboxylic acid, 2'-methyl-, CID2759815, 2'-Methyl-[1,1'-biphenyl]-4-carboxylicacid, [1,1'-Biphenyl]-4-carboxylic acid, 2'-methyl-, 2'-methylbiphenyl-4-carboxylic acid, 95% - 1G 1g,

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	3.4

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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