AG005U35

6975-71-9 | 2-(cyclohex-1-en-1-yl)acetonitrile

AG005U35

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CAS Number	6975-71-9
Catalog Number	AG005U35(AGN-PC-0JLT9L)
Chemical Name	2-(cyclohex-1-en-1-yl)acetonitrile
EC Number	230-235-6
IUPAC Name	2-(cyclohexen-1-yl)acetonitrile
InChI	InChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H2
InChI Key	OYEXEQFKIPJKJK-UHFFFAOYSA-N
MDL Number	MFCD00001566
Molecular Formula	C8H11N
Molecular Weight	121.1796
NSC Number	21642
SMILES	N#CCC1=CCCCC1
Synonyms	6975-71-9, 2-(cyclohex-1-en-1-yl)acetonitrile, 1-Cyclohexene-1-acetonitrile, 1-Cyclohexenylacetonitrile, Cyclohexenylacetonitrile, 1-Cyclohexen-1-ylacetonitrile, cyclohex-1-enyl-acetonitrile, 2-(cyclohexen-1-yl)acetonitrile, 1-cyclohexenacetonitrile, 1-Cyclohexeneacetonitrile, OYEXEQFKIPJKJK-UHFFFAOYSA-N, 2-cyclohex-1-enylethanenitrile, l6utj a1cn, NSC21642, EINECS 230-235-6, NSC 21642, PubChem12519, 1-Cyclohexenylacetonitile, AI3-04979, 2-Cyclohexenylacetonitrile, 1-cyclo hexenylacetonitrile, 1-Cyclohexenyl Acetonitrile, AC1L31DV, AC1Q4QW0, AC1Q4S1M, SCHEMBL1003717, Cyclohex-1-en-1-ylacetonitrile, DTXSID1064536, 2-(1-cyclohexenyl)-acetonitrile, CTK8B6229, 1-Cyclohexenylacetonitrile, 90%, 1-Cyclohexenylacetonitrile, 92%, ZINC3860303, ANW-53031, MFCD00001566, NSC-21642, SBB007680, AKOS004115243, AB00143, AN-1472, FR-0102, AJ-45982, H585, ST2416192, TR-037520, FT-0636324, ST50828250, EN300-72661, Z-4990, 975C719, S14-1000, W-104593, Z1262237426, InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-6H, C8H11N, Cyclohex-1-ene-1-acetonitrile, ACN-S002237, C8-H11-N, CID81461, AR-1J2922, 1-Cyclohexenylacetonitrile, 92% - 25G 25g, 71897-63-7,

Complexity	159
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
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	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H302+H312-H315-H319-H331-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P311
UN Code	UN 3276

Certificate of Analysis

Lot Number