AG005EUX

77837-08-2 | 6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid

AG005EUX

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CAS Number	77837-08-2
Catalog Number	AG005EUX(AGN-PC-00JBVB)
Chemical Name	6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid
IUPAC Name	6-oxo-1-phenylpyridine-3-carboxylic acid
InChI	InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChI Key	PETUTZMMIOWORO-UHFFFAOYSA-N
MDL Number	MFCD07369218
Molecular Formula	C12H9NO3
Molecular Weight	215.2048
SMILES	O=C(C(C=C1)=CN(C2=CC=CC=C2)C1=O)O
UNII	260RWO9IY8
Synonyms	5-carboxy-pirfenidone, 77837-08-2, 6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid, 5-Carboxy-N-phenyl-2-1H-pyridone, UNII-260RWO9IY8, 260RWO9IY8, AK162320, 5-Carboxy-pirfenidone, 5-Carboxypirfenidone, 5-Carboxy Pirfenidone,, SCHEMBL146048, 3-Pyridinecarboxylic acid, 1,6-dihydro-6-oxo-1-phenyl-, CTK2H5897, KS-00000SLW, DTXSID10475285, PETUTZMMIOWORO-UHFFFAOYSA-N, MFCD07369218, ZINC21981319, Pirfenidone carboxylic acid metabolite, 5-Carboxy-1-phenyl-1H-pyridin-2-on, AKOS009295740, DS-7762, MCULE-8042308159, FT-0664340, 6-OXO-1-PHENYLPYRIDINE-3-CARBOXYLIC ACID, 1,6-Dihydro-6-oxo-1-phenyl-3-pyridinecarboxylic Acid, 6-oxo-1-phenyl-1,6-dihydro-3-pyridinecarboxylic acid, 3-Pyridinecarboxylicacid, 1,6-dihydro-6-oxo-1-phenyl-, CID11988812, 6-oxo-1-phenyl-pyridine-3-carboxylic Acid, 6-oxo-1-phenyl-1,6-dihydro-pyridine-3-carboxylic acid,

Complexity	365
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.058g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.208g/mol
Monoisotopic Mass	215.058g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	57.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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