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84173-95-5 | 5-Hexenenitrile, 2,2-dimethyl-
CAS No: 84173-95-5 Catalog No: AG004YKL MDL No:
Product Description
Catalog Number:
AG004YKL
Chemical Name:
5-Hexenenitrile, 2,2-dimethyl-
CAS Number:
84173-95-5
Molecular Formula:
C8H13N
Molecular Weight:
123.1955
IUPAC Name:
2,2-dimethylhex-5-enenitrile
InChI:
InChI=1S/C8H13N/c1-4-5-6-8(2,3)7-9/h4H,1,5-6H2,2-3H3
InChI Key:
FMYANDVTIGLEES-UHFFFAOYSA-N
SMILES:
C=CCCC(C#N)(C)C
Properties
Complexity:
136
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:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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