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85450-51-7 | Cyclohexanone, 3-(phenylmethyl)-
CAS No: 85450-51-7 Catalog No: AG004NNC MDL No:
Product Description
Catalog Number:
AG004NNC
Chemical Name:
Cyclohexanone, 3-(phenylmethyl)-
CAS Number:
85450-51-7
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
IUPAC Name:
3-benzylcyclohexan-1-one
InChI:
InChI=1S/C13H16O/c14-13-8-4-7-12(10-13)9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
HAGFSCDMVBLDET-UHFFFAOYSA-N
SMILES:
O=C1CCCC(C1)Cc1ccccc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.12g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.27g/mol
Monoisotopic Mass:
188.12g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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