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26530-74-5 | 3-Cyclohexene-1-propanenitrile, 1-cyano-4-methyl-
CAS No: 26530-74-5 Catalog No: AG002TKW MDL No:
Product Description
Catalog Number:
AG002TKW
Chemical Name:
3-Cyclohexene-1-propanenitrile, 1-cyano-4-methyl-
CAS Number:
26530-74-5
Molecular Formula:
C11H14N2
Molecular Weight:
174.2423
IUPAC Name:
1-(2-cyanoethyl)-4-methylcyclohex-3-ene-1-carbonitrile
InChI:
InChI=1S/C11H14N2/c1-10-3-6-11(9-13,7-4-10)5-2-8-12/h3H,2,4-7H2,1H3
InChI Key:
MWCOJRBDKKCLAE-UHFFFAOYSA-N
SMILES:
N#CCCC1(C#N)CCC(=CC1)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.116g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.247g/mol
Monoisotopic Mass:
174.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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