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89646-98-0 | 3-Heptenenitrile, 2-butylidene-
CAS No: 89646-98-0 Catalog No: AG003VRD MDL No:
Product Description
Catalog Number:
AG003VRD
Chemical Name:
3-Heptenenitrile, 2-butylidene-
CAS Number:
89646-98-0
Molecular Formula:
C11H17N
Molecular Weight:
163.2594
IUPAC Name:
2-butylidenehept-3-enenitrile
InChI:
InChI=1S/C11H17N/c1-3-5-7-9-11(10-12)8-6-4-2/h7-9H,3-6H2,1-2H3
InChI Key:
UNFJFDGQABKTBW-UHFFFAOYSA-N
SMILES:
CCCC=CC(=CCCC)C#N
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.8
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