AG003LGJ

222180-20-3 | 4'-Formyl-[1,1'-biphenyl]-3-carboxylic acid

AG003LGJ

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CAS Number	222180-20-3
Catalog Number	AG003LGJ(AGN-PC-0KL72A)
Chemical Name	4'-Formyl-[1,1'-biphenyl]-3-carboxylic acid
IUPAC Name	3-(4-formylphenyl)benzoic acid
InChI	InChI=1S/C14H10O3/c15-9-10-4-6-11(7-5-10)12-2-1-3-13(8-12)14(16)17/h1-9H,(H,16,17)
InChI Key	PLPKINAPTMTZJU-UHFFFAOYSA-N
MDL Number	MFCD03426484
Molecular Formula	C14H10O3
Molecular Weight	226.2274
SMILES	O=C(C1=CC(C2=CC=C(C=O)C=C2)=CC=C1)O
Synonyms	222180-20-3, 4'-Formylbiphenyl-3-carboxylic acid, 4'-Formyl-[1,1'-biphenyl]-3-carboxylic acid, 3-(4-Formylphenyl)benzoic acid, 4'-Formyl-biphenyl-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylicacid, 4'-formyl-, 3-BIPHENYL-4'-FORMYL-CARBOXYLIC ACID, 4'-formyl(1,1'-biphenyl)-3-carboxylic acid, 4'-formyl[1,1'-biphenyl]-3-carboxylic acid, MFCD03426484, 3-Biphenyl-4'-formyl-carboxylicacid, ACMC-20a7ey, AC1MDRR2, AMTDA116, SCHEMBL711947, CTK1A0215, DTXSID30383353, PLPKINAPTMTZJU-UHFFFAOYSA-N, BM473, ZINC2581021, 4'-formyl-3-biphenylcarboxylic acid, 1252AB, ANW-60536, 3-(4-Formylphenyl)benzoic acid 97%, AKOS000314398, AS-9712, QC-4055, 3-(4-Formylphenyl)benzoic acid, 97%, AJ-42958, AN-29618, SC-49206, AB0000322, DB-004199, ST2405201, TR-010466, 4' - Formylbiphenyl - 3 - carboxylic acid, 4CH-018964, BB 0222400, FT-0655570, A-3122, S-1061, [1,1'-Biphenyl]-3-carboxylic acid, 4'-formyl-, I14-5741, I14-91333, 3-Biphenyl-4'-formylcarboxylic acid; 3-(4-Formylphenyl)benzoic acid; 4'-Formyl(1,1'-biphenyl)-3-carboxylic acid, C14H10O3, CID2794723, 4'-FORMYL-BIPHENYL-3-CARBOXYLICACID, A12775,

Complexity	279
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	3.1

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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