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14721-44-9 | Cyclopentanone, 2-(2-phenylethyl)-
CAS No: 14721-44-9 Catalog No: AG001EPU MDL No:MFCD01024568
Product Description
Catalog Number:
AG001EPU
Chemical Name:
Cyclopentanone, 2-(2-phenylethyl)-
CAS Number:
14721-44-9
Molecular Formula:
C13H16O
Molecular Weight:
188.2655
MDL Number:
MFCD01024568
IUPAC Name:
2-(2-phenylethyl)cyclopentan-1-one
InChI:
InChI=1S/C13H16O/c14-13-8-4-7-12(13)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChI Key:
KWUMHBBOKACBJV-UHFFFAOYSA-N
SMILES:
O=C1CCCC1CCc1ccccc1
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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