AG00DCL7

4513-77-3 | 2-Oxocyclohexanecarbonitrile

AG00DCL7

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CAS Number	4513-77-3
Catalog Number	AG00DCL7(AGN-PC-0WAIXH)
Chemical Name	2-Oxocyclohexanecarbonitrile
IUPAC Name	2-oxocyclohexane-1-carbonitrile
InChI	InChI=1S/C7H9NO/c8-5-6-3-1-2-4-7(6)9/h6H,1-4H2
InChI Key	RWMVCOUKVCLWIC-UHFFFAOYSA-N
MDL Number	MFCD00154839
Molecular Formula	C7H9NO
Molecular Weight	123.1525
NSC Number	2841
SMILES	O=C1CCCCC1C#N
Synonyms	2-oxocyclohexanecarbonitrile, 4513-77-3, 2-oxocyclohexane-1-carbonitrile, 2-CYANOCYCLOHEXANONE, NSC2841, a-Cyanocyclohexanone, AC1Q6EOA, AC1Q6EOB, 1-Cyano-2-oxocyclohexane, 2-oxo-cyclohexanecarbonitrile, Cyclohexanecarbonitrile,2-oxo-, AC1L58L1, SCHEMBL1623070, CTK4I8640, KS-00002AKM, 2-oxo-cyclohexane-1-carbonitrile, DTXSID40277557, RWMVCOUKVCLWIC-UHFFFAOYSA-N, NSC-2841, 6221AB, ANW-74163, BBL103177, MFCD00154839, STL556987, AKOS005258248, PS-5999, AB0128305, DB-008227, TR-017209, CS-0054141, FT-0635339, EN300-70694, K-9003, I14-21700, Z1741965030, C7H9NO, 2-Methylcyclohexanone, 98%, AR-1E4662, CID220297, 5433-36-3, 583-60-8,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	123.068g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	123.155g/mol
Monoisotopic Mass	123.068g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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