AG0075TK

1186048-28-1 | 2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid

AG0075TK

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CAS Number	1186048-28-1
Catalog Number	AG0075TK(AGN-PC-038WYS)
Chemical Name	2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid
IUPAC Name	4-(4-carboxyphenyl)-3-methylbenzoic acid
InChI	InChI=1S/C15H12O4/c1-9-8-12(15(18)19)6-7-13(9)10-2-4-11(5-3-10)14(16)17/h2-8H,1H3,(H,16,17)(H,18,19)
InChI Key	LIAIHMJPPFPMBK-UHFFFAOYSA-N
MDL Number	MFCD18320269
Molecular Formula	C15H12O4
Molecular Weight	256.2534
SMILES	O=C(C1=CC=C(C2=CC=C(C(O)=O)C=C2C)C=C1)O
Synonyms	1186048-28-1, 2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid, 4-(4-CARBOXYPHENYL)-3-METHYLBENZOIC ACID, ACMC-2099xp, SCHEMBL11507830, CTK8A9383, DTXSID50612213, 3051AA, ANW-17147, MFCD18320269, ZINC65350647, AJ-115470, AX8243459, TC-105892, B-6567, 2-Methyl-1,1'-biphenyl-4,4'-dicarboxylic acid, 2-Methyl[1,1'-biphenyl]-4,4'-dicarboxylic acid, C15H12O4, 2-Methyl-[1,1'-biphenyl]-4,4'-dicarboxylicacid,

Complexity	344
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.074g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	256.257g/mol
Monoisotopic Mass	256.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	74.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
UN Code

Certificate of Analysis

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