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89646-97-9 | 3-Hexenenitrile, 2-propylidene-
CAS No: 89646-97-9 Catalog No: AG003VVI MDL No:
Product Description
Catalog Number:
AG003VVI
Chemical Name:
3-Hexenenitrile, 2-propylidene-
CAS Number:
89646-97-9
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
IUPAC Name:
2-propylidenehex-3-enenitrile
InChI:
InChI=1S/C9H13N/c1-3-5-7-9(8-10)6-4-2/h5-7H,3-4H2,1-2H3
InChI Key:
XTHKKPCOYHZVHB-UHFFFAOYSA-N
SMILES:
CCC=CC(=CCC)C#N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
2.7
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