AG00CNH4

41171-91-9 | 3-Oxo-cyclopentanecarbonitrile

AG00CNH4

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CAS Number	41171-91-9
Catalog Number	AG00CNH4(AGN-PC-03I1SH)
Chemical Name	3-Oxo-cyclopentanecarbonitrile
IUPAC Name	3-oxocyclopentane-1-carbonitrile
InChI	InChI=1S/C6H7NO/c7-4-5-1-2-6(8)3-5/h5H,1-3H2
InChI Key	RJDDBRGASHENKL-UHFFFAOYSA-N
MDL Number	MFCD21184612
Molecular Formula	C6H7NO
Molecular Weight	109.1259
SMILES	O=C1CC(CC1)C#N
Synonyms	3-oxocyclopentanecarbonitrile, 41171-91-9, 3-OXOCYCLOPENTANE-1-CARBONITRILE, 3-cyanocyclopentanone, 3-ketocyclopentanecarbonitrile, (S)-3-Oxocyclopentane-1-carbonitrile, 1821771-40-7, 4-cyanocyclopentanone, 3-Oxo-cyclopentanecarbonitrile, SCHEMBL4542083, CHEBI:71188, KS-00000EKF, 3-oxo-cyclopentane-1-carbonitrile, MFCD21184612, AKOS014572394, SB14027, CS-12123, DA-06032, SY038122, CS-0035459, FT-0706397, MFCD21184612 (95%), (1R)-3-oxocyclopentane-1-carbonitrile, 180475-44-9,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	109.053g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	109.128g/mol
Monoisotopic Mass	109.053g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number