AG002X75

29051-44-3 | 3-Pyridinecarboxylic acid, 6-phenyl-

AG002X75

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CAS Number	29051-44-3
Catalog Number	AG002X75(AGN-PC-0JLMPR)
Chemical Name	3-Pyridinecarboxylic acid, 6-phenyl-
EC Number	249-386-4
IUPAC Name	6-phenylpyridine-3-carboxylic acid
InChI	InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChI Key	DLFLQXUYRFIFOK-UHFFFAOYSA-N
MDL Number	MFCD03086128
Molecular Formula	C12H9NO2
Molecular Weight	199.2054
SMILES	O=C(O)C1=CN=C(C2=CC=CC=C2)C=C1
Synonyms	6-Phenylnicotinic acid, 29051-44-3, 6-phenylpyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 6-phenyl-, 6-Phenyl-nicotinic acid, CHEMBL2316892, 2-phenyl-5-pyridinecarboxylic acid, 2-Phenyl pyridine-5-carboxylic acid, EINECS 249-386-4, 4i8x, 6-phenyl nicotinic acid, ACMC-1CMXF, AC1Q5UUM, 2-Phenyl-5-carboxypyridine, 3-Carboxy-6-phenylpyridine, AC1L3Q4K, SCHEMBL505455, CTK1A5474, KS-00000FHB, DLFLQXUYRFIFOK-UHFFFAOYSA-N, 6-phenyl-3-pyridinecarboxylic acid, 6-Phenylnicotinic acid, AldrichCPR, ZINC2506130, 6-phenyl-pyridine-3-carboxylic acid, 3-Pyridinecarboxylicacid, 6-phenyl-, ANW-26531, BDBM50425804, MFCD03086128, SBB052863, AKOS006345714, PS-4121, RP04201, AJ-36101, AK-91666, BC621619, DB-030674, TX-017337, 4CH-000736, AM20051042, FT-0655382, ST24029839, Y8577, 051P443, A1-00172, I14-4657, J-517925, J-518987, Z2418194150, 6P3, 6-PHENYLNICOTINICACID, C12H9NO2, 5-phenylpyridine-2-carboxylic Acid, C12-H9-N-O2, AR-1H2553, CID120118, 29873-33-4, 75754-04-0,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.063g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	199.209g/mol
Monoisotopic Mass	199.063g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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