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100054-48-6 | Cyclooctanepropanenitrile, 2-oxo-
CAS No: 100054-48-6 Catalog No: AG0000PY MDL No:
Product Description
Catalog Number:
AG0000PY
Chemical Name:
Cyclooctanepropanenitrile, 2-oxo-
CAS Number:
100054-48-6
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
IUPAC Name:
3-(2-oxocyclooctyl)propanenitrile
InChI:
InChI=1S/C11H17NO/c12-9-5-7-10-6-3-1-2-4-8-11(10)13/h10H,1-8H2
InChI Key:
HOGLAHNCLICYLM-UHFFFAOYSA-N
SMILES:
N#CCCC1CCCCCCC1=O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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