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14996-79-3 | Cyclooctanone, 2-phenyl-
CAS No: 14996-79-3 Catalog No: AG001M62 MDL No:
Product Description
Catalog Number:
AG001M62
Chemical Name:
Cyclooctanone, 2-phenyl-
CAS Number:
14996-79-3
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
2-phenylcyclooctan-1-one
InChI:
InChI=1S/C14H18O/c15-14-11-7-2-1-6-10-13(14)12-8-4-3-5-9-12/h3-5,8-9,13H,1-2,6-7,10-11H2
InChI Key:
QXBUAHVMLOQNTG-UHFFFAOYSA-N
SMILES:
O=C1CCCCCCC1c1ccccc1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.297g/mol
Monoisotopic Mass:
202.136g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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