AG001566

1215206-03-3 | 2'-Hydroxy-5'-methoxybiphenyl-3-carboxylic acid

AG001566

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CAS Number	1215206-03-3
Catalog Number	AG001566(AGN-PC-0WA6SO)
Chemical Name	2'-Hydroxy-5'-methoxybiphenyl-3-carboxylic acid
IUPAC Name	3-(2-hydroxy-5-methoxyphenyl)benzoic acid
InChI	InChI=1S/C14H12O4/c1-18-11-5-6-13(15)12(8-11)9-3-2-4-10(7-9)14(16)17/h2-8,15H,1H3,(H,16,17)
InChI Key	MAPDAJJJYRUXGN-UHFFFAOYSA-N
MDL Number	MFCD15143535
Molecular Formula	C14H12O4
Molecular Weight	244.2427
SMILES	O=C(C1=CC(C2=CC(OC)=CC=C2O)=CC=C1)O
Synonyms	1215206-03-3, 2'-Hydroxy-5'-methoxy-[1,1'-biphenyl]-3-carboxylic acid, 2'-HYDROXY-5'-METHOXYBIPHENYL-3-CARBOXYLIC ACID, AK107993, ACMC-20aiiu, SCHEMBL15266493, CTK4B2450, DTXSID00681813, 3922AA, ANW-74932, MFCD15143535, ZINC65336988, AKOS015856225, DS-3727, AJ-114948, AX8243168, DB-057970, TR-034566, FT-0767798, 2'-Hydroxy-5'-methoxy[1,1'-biphenyl]-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylic acid, 2'-hydroxy-5'-methoxy-, C14H12O4, 2-Hydroxy-5-methoxybiphenyl-3-carboxylic acid, 2/'-Hydroxy-5/'-methoxybiphenyl-3-carboxylic acid, 2'-Hydroxy-5'-methoxy-[1,1'-biphenyl]-3-carboxylicacid,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.074g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	244.246g/mol
Monoisotopic Mass	244.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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