AG005EUW

77837-09-3 | Methyl 5-carboxy-n-phenyl-2-1h-pyridone

AG005EUW

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CAS Number	77837-09-3
Catalog Number	AG005EUW(AGN-PC-09T96D)
Chemical Name	Methyl 5-carboxy-n-phenyl-2-1h-pyridone
IUPAC Name	methyl 6-oxo-1-phenylpyridine-3-carboxylate
InChI	InChI=1S/C13H11NO3/c1-17-13(16)10-7-8-12(15)14(9-10)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key	RJBSPLUQQNNULO-UHFFFAOYSA-N
MDL Number	MFCD07369505
Molecular Formula	C13H11NO3
Molecular Weight	229.2313
SMILES	O=C(C(C=C1)=CN(C2=CC=CC=C2)C1=O)OC
Synonyms	77837-09-3, Methyl 6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylate, Methyl 5-Carboxy-N-phenyl-2-1H-pyridone, 6-OXO-1-PHENYL-1,6-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID METHYL ESTER, AK157120, methyl 6-oxo-1-phenylpyridine-3-carboxylate, SCHEMBL142307, RJBSPLUQQNNULO-UHFFFAOYSA-N, 4304AJ, MFCD07369505, ZINC22062790, AKOS024262029, AJ-80917, AX8291259, DB-075377, FT-0671607, Z-7448, 1,6-Dihydro-6-oxo-1-phenyl-nicotinic Acid Methyl Ester, Methyl 6-oxo-1-phenyl-1,6-dihydro-3-pyridinecarboxylate, methyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylate, C13H11NO3, CID11989075, Methyl 6-oxo-1-phenyl-pyridine-3-carboxylate,

Complexity	378
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.074g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	229.235g/mol
Monoisotopic Mass	229.074g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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