AG003JCT

591769-05-0 | (2E)-3-cyclopentylprop-2-enenitrile

AG003JCT

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CAS Number	591769-05-0
Catalog Number	AG003JCT(AGN-PC-00AC2Z)
Chemical Name	(2E)-3-cyclopentylprop-2-enenitrile
IUPAC Name	(E)-3-cyclopentylprop-2-enenitrile
InChI	InChI=1S/C8H11N/c9-7-3-6-8-4-1-2-5-8/h3,6,8H,1-2,4-5H2/b6-3+
InChI Key	VMELXYJYSXXORF-ZZXKWVIFSA-N
MDL Number	MFCD11857755
Molecular Formula	C8H11N
Molecular Weight	121.1796
SMILES	N#C/C=C/C1CCCC1
Synonyms	3-Cyclopentylacrylonitrile, 591769-05-0, 3-cyclopentylprop-2-enenitrile, (E)-3-cyclopentylacrylonitrile, (E)-3-cyclopentylprop-2-enenitrile, (2E)-3-cyclopentylprop-2-enenitrile, AK175284, 3-cyyclopentylacrylonitrile, AC1Q4Q6F, SCHEMBL99596, (2E)-3-cyclopentylacrylonitrile, 2-Propenenitrile,3-cyclopentyl-, DTXSID40613678, 3-(Cyclopentyl)prop-2-enenitrile, VMELXYJYSXXORF-ZZXKWVIFSA-N, BCP15525, KM0287, MFCD11857755, ZINC35270621, 3-Cyclopentylacrylonitrile, AldrichCPR, AKOS011598462, DS-8986, FCH4128686, FCH4726117, OR51789, RTR-020539, SB17666, AN-27715, BBV-33911032, SC-65529, TR-020539, X5531, 769C050, I14-27377, 1236033-37-6, C8H11N, 3-bromo-2-(trifluoromethyl)pyridine,

Complexity	143
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	121.089g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	121.183g/mol
Monoisotopic Mass	121.089g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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