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13048-17-4 | 2-Cyclohexene-1-carbonitrile
CAS No: 13048-17-4 Catalog No: AG000UH8 MDL No:
Product Description
Catalog Number:
AG000UH8
Chemical Name:
2-Cyclohexene-1-carbonitrile
CAS Number:
13048-17-4
Molecular Formula:
C7H9N
Molecular Weight:
107.1531
IUPAC Name:
cyclohex-2-ene-1-carbonitrile
InChI:
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h2,4,7H,1,3,5H2
InChI Key:
SHQBSKNMMFNYGZ-UHFFFAOYSA-N
SMILES:
C1CCC=CC1C#N
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
107.073g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
107.156g/mol
Monoisotopic Mass:
107.073g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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