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137936-45-9 | Octanenitrile, 8-methoxy-
CAS No: 137936-45-9 Catalog No: AG0017OO MDL No:
Product Description
Catalog Number:
AG0017OO
Chemical Name:
Octanenitrile, 8-methoxy-
CAS Number:
137936-45-9
Molecular Formula:
C9H17NO
Molecular Weight:
155.2374
IUPAC Name:
8-methoxyoctanenitrile
InChI:
InChI=1S/C9H17NO/c1-11-9-7-5-3-2-4-6-8-10/h2-7,9H2,1H3
InChI Key:
WTPNBPCLQWMBTL-UHFFFAOYSA-N
SMILES:
COCCCCCCCC#N
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.131g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.241g/mol
Monoisotopic Mass:
155.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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