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1138-44-9 | Cyclohexanone, 2-(2-phenylethyl)-
CAS No: 1138-44-9 Catalog No: AG0009PN MDL No:
Product Description
Catalog Number:
AG0009PN
Chemical Name:
Cyclohexanone, 2-(2-phenylethyl)-
CAS Number:
1138-44-9
Molecular Formula:
C14H18O
Molecular Weight:
202.2921
IUPAC Name:
2-(2-phenylethyl)cyclohexan-1-one
InChI:
InChI=1S/C14H18O/c15-14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChI Key:
PEVNEAUCRZWXDW-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1CCc1ccccc1
NSC Number:
28068
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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