AG00BJ42

28448-12-6 | 3-quinolinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-

AG00BJ42

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CAS Number	28448-12-6
Catalog Number	AG00BJ42(AGN-PC-0WC70M)
Chemical Name	3-quinolinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-
IUPAC Name	4-methyl-2-oxo-1H-quinoline-3-carbonitrile
InChI	InChI=1S/C11H8N2O/c1-7-8-4-2-3-5-10(8)13-11(14)9(7)6-12/h2-5H,1H3,(H,13,14)
InChI Key	XNWOEPJJGKULBS-UHFFFAOYSA-N
MDL Number	MFCD00833317
Molecular Formula	C11H8N2O
Molecular Weight	184.1940
SMILES	N#CC1=C(C)C2=C(NC1=O)C=CC=C2
Synonyms	4-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile, 28448-12-6, 3-Cyan-4-methylcarbostyril, Oprea1_815129, SCHEMBL7915031, XNWOEPJJGKULBS-UHFFFAOYSA-N, ZINC127862, ALBB-013566, BBL035706, CCG-42590, STL442843, AKOS005174063, MCULE-2575271194, DA-07352, AB0048477, FT-0762831, Z-1661, SR-01000451028, 1,2-dihydro-2-oxo-4-methylquinoline-3-carbonitrile, 2-Oxo-4-methyl-1,2-dihydroquinoline-3-carbonitrile, 4-Methyl-2-oxo-1,2-dihydro-3-quinolinecarbonitrile, SR-01000451028-1, SR-01000451028-2, Z2218555007, AC1LCNVM, CID603563, ZINC00127862, 4-methyl-2-oxo-1H-quinoline-3-carbonitrile, 3-quinolinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-, 135941-95-6,

Complexity	348
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.063663g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.19g/mol
Monoisotopic Mass	184.063663g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.9Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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