AG002AE1

205871-52-9 | 3-(2-Formylphenyl)benzoic acid

AG002AE1

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CAS Number	205871-52-9
Catalog Number	AG002AE1(AGN-PC-0KKN2E)
Chemical Name	3-(2-Formylphenyl)benzoic acid
IUPAC Name	3-(2-formylphenyl)benzoic acid
InChI	InChI=1S/C14H10O3/c15-9-12-4-1-2-7-13(12)10-5-3-6-11(8-10)14(16)17/h1-9H,(H,16,17)
InChI Key	NWVOXGWJNSOFTE-UHFFFAOYSA-N
MDL Number	MFCD03424616
Molecular Formula	C14H10O3
Molecular Weight	226.2274
SMILES	O=C(C1=CC(C2=CC=CC=C2C=O)=CC=C1)O
Synonyms	205871-52-9, 2'-formyl-[1,1'-biphenyl]-3-carboxylic acid, 3-(2-formylphenyl)benzoic Acid, 2'-formyl[1,1'-biphenyl]-3-carboxylic acid, 2'-Formyl-biphenyl-3-carboxylic acid, 2'-formylbiphenyl-3-carboxylic acid, AC1MBZWJ, ACMC-1CBK9, SCHEMBL5268533, CTK1A1362, DTXSID70374689, 2-formylbiphenyl-3-carboxylic acid, KS-00002AT4, ZINC2574082, ANW-24150, MFCD03424616, AKOS004113808, PS-7767, RTR-009622, AJ-42196, DB-066250, TR-009622, BB 0222492, FT-0726536, ST24021426, V4242, [1,1'-Biphenyl]-3-carboxylicacid,2'-formyl-, B-7779, [1,1'-Biphenyl]-3-carboxylicacid, 2'-formyl-, [1,1'-Biphenyl]-3-carboxylic acid, 2'-formyl-, I01-11286, C14H10O3, CID2759215, 2'-Formyl-[1,1'-biphenyl]-3-carboxylicacid,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.063g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	226.231g/mol
Monoisotopic Mass	226.063g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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