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13050-09-4 | Octanenitrile, 8-oxo-
CAS No: 13050-09-4 Catalog No: AG000UIO MDL No:MFCD18431590
Product Description
Catalog Number:
AG000UIO
Chemical Name:
Octanenitrile, 8-oxo-
CAS Number:
13050-09-4
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD18431590
IUPAC Name:
8-oxooctanenitrile
InChI:
InChI=1S/C8H13NO/c9-7-5-3-1-2-4-6-8-10/h8H,1-6H2
InChI Key:
GPIYCUTWSGJWLF-UHFFFAOYSA-N
SMILES:
O=CCCCCCCC#N
Properties
Complexity:
123
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:
6
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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