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114336-08-2 | Hexanenitrile, 2-ethyl-4-oxo-
CAS No: 114336-08-2 Catalog No: AG000B49 MDL No:
Product Description
Catalog Number:
AG000B49
Chemical Name:
Hexanenitrile, 2-ethyl-4-oxo-
CAS Number:
114336-08-2
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2-ethyl-4-oxohexanenitrile
InChI:
InChI=1S/C8H13NO/c1-3-7(6-9)5-8(10)4-2/h7H,3-5H2,1-2H3
InChI Key:
WQPSTQXLFZXSCP-UHFFFAOYSA-N
SMILES:
CCC(=O)CC(C#N)CC
Properties
Complexity:
154
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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