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101251-92-7 | Hexanenitrile, 4,4-dimethyl-
CAS No: 101251-92-7 Catalog No: AG00042M MDL No:
Product Description
Catalog Number:
AG00042M
Chemical Name:
Hexanenitrile, 4,4-dimethyl-
CAS Number:
101251-92-7
Molecular Formula:
C8H15N
Molecular Weight:
125.2114
IUPAC Name:
4,4-dimethylhexanenitrile
InChI:
InChI=1S/C8H15N/c1-4-8(2,3)6-5-7-9/h4-6H2,1-3H3
InChI Key:
BCOAZWJIQDRTDW-UHFFFAOYSA-N
SMILES:
CCC(CCC#N)(C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.12g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.215g/mol
Monoisotopic Mass:
125.12g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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