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87995-26-4 | 5-Hexenenitrile, 3-(1,1-dimethylethyl)-
CAS No: 87995-26-4 Catalog No: AG004L5E MDL No:
Product Description
Catalog Number:
AG004L5E
Chemical Name:
5-Hexenenitrile, 3-(1,1-dimethylethyl)-
CAS Number:
87995-26-4
Molecular Formula:
C10H17N
Molecular Weight:
151.2487
IUPAC Name:
3-tert-butylhex-5-enenitrile
InChI:
InChI=1S/C10H17N/c1-5-6-9(7-8-11)10(2,3)4/h5,9H,1,6-7H2,2-4H3
InChI Key:
ASNNBDYPAKOJGV-UHFFFAOYSA-N
SMILES:
C=CCC(C(C)(C)C)CC#N
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.136g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.253g/mol
Monoisotopic Mass:
151.136g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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