AG0027AS

17983-30-1 | Cyclohexanecarbonitrile, 3-oxo-

AG0027AS

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CAS Number	17983-30-1
Catalog Number	AG0027AS(AGN-PC-04T5YU)
Chemical Name	Cyclohexanecarbonitrile, 3-oxo-
IUPAC Name	3-oxocyclohexane-1-carbonitrile
InChI	InChI=1S/C7H9NO/c8-5-6-2-1-3-7(9)4-6/h6H,1-4H2
InChI Key	PVUOBVLYQILCTE-UHFFFAOYSA-N
MDL Number	MFCD18483160
Molecular Formula	C7H9NO
Molecular Weight	123.1525
SMILES	N#CC1CC(CCC1)=O
Synonyms	17983-30-1, 3-OXOCYCLOHEXANECARBONITRILE, 3-oxocyclohexane-1-carbonitrile, 3-oxo-cyclohexanecarbonitrile, Cyclohexanecarbonitrile, 3-oxo-, Cyclohexanecarbonitrile, 3-oxo-, (R)-, ACMC-20ltlf, 1-cyanocyclohexan-3-one, SCHEMBL1578217, PVUOBVLYQILCTE-UHFFFAOYSA-N, 90865-33-1, MFCD18483160, AKOS006240242, MCULE-7187855455, NE52313, AK137970, EN300-59516, Z1259339740,

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	0.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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