AG006APS

95882-33-0 | 3-Cyclopentyl-3-oxopropanenitrile

AG006APS

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CAS Number	95882-33-0
Catalog Number	AG006APS(AGN-PC-0W5HX0)
Chemical Name	3-Cyclopentyl-3-oxopropanenitrile
IUPAC Name	3-cyclopentyl-3-oxopropanenitrile
InChI	InChI=1S/C8H11NO/c9-6-5-8(10)7-3-1-2-4-7/h7H,1-5H2
InChI Key	FOCJXECLIBAZSA-UHFFFAOYSA-N
MDL Number	MFCD04114391
Molecular Formula	C8H11NO
Molecular Weight	137.1790
SMILES	N#CCC(C1CCCC1)=O
Synonyms	3-cyclopentyl-3-oxopropanenitrile, 95882-33-0, 3-CYCLOPENTYL-3-OXO-PROPIONITRILE, 3-cyclopentyl-3-oxopropionitrile, SCHEMBL573499, CTK5H8290, DTXSID50544560, FOCJXECLIBAZSA-UHFFFAOYSA-N, 3-cyclopentyl-3-oxo-propanenitrile, ZINC2599193, 6567AC, MFCD04114391, AKOS009236565, PB32362, AJ-43917, AB0082403, DB-080356, 3-cyclopentyl-3-oxidanylidene-propanenitrile, 4CH-024564, CS-0053864, FT-0744923, ST24042111, Q-1924, A845486, C8H11NO, |A-Oxo-cyclopentanepropanenitrile,

Complexity	171
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	137.084g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	137.182g/mol
Monoisotopic Mass	137.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P301+P310-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

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