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14368-39-9 | 2-Hexenenitrile, 3,5-dimethyl-
CAS No: 14368-39-9 Catalog No: AG001I64 MDL No:
Product Description
Catalog Number:
AG001I64
Chemical Name:
2-Hexenenitrile, 3,5-dimethyl-
CAS Number:
14368-39-9
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
IUPAC Name:
3,5-dimethylhex-2-enenitrile
InChI:
InChI=1S/C8H13N/c1-7(2)6-8(3)4-5-9/h4,7H,6H2,1-3H3
InChI Key:
KMZKRGSNSZTFDC-UHFFFAOYSA-N
SMILES:
CC(CC(=CC#N)C)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.105g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.199g/mol
Monoisotopic Mass:
123.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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