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137114-73-9 | Hexanenitrile, 2,4-dimethyl-5-oxo-
CAS No: 137114-73-9 Catalog No: AG0012UZ MDL No:
Product Description
Catalog Number:
AG0012UZ
Chemical Name:
Hexanenitrile, 2,4-dimethyl-5-oxo-
CAS Number:
137114-73-9
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
IUPAC Name:
2,4-dimethyl-5-oxohexanenitrile
InChI:
InChI=1S/C8H13NO/c1-6(5-9)4-7(2)8(3)10/h6-7H,4H2,1-3H3
InChI Key:
ZXADZUDENFCCHH-UHFFFAOYSA-N
SMILES:
N#CC(CC(C(=O)C)C)C
Properties
Complexity:
165
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:
3
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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