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824390-76-3 | Cyclopentanone, 2-phenyl-3-(2-phenylethyl)-, (2S,3S)-
CAS No: 824390-76-3 Catalog No: AG005BPG MDL No:
Product Description
Catalog Number:
AG005BPG
Chemical Name:
Cyclopentanone, 2-phenyl-3-(2-phenylethyl)-, (2S,3S)-
CAS Number:
824390-76-3
Molecular Formula:
C19H20O
Molecular Weight:
264.3615
IUPAC Name:
(2S,3S)-2-phenyl-3-(2-phenylethyl)cyclopentan-1-one
InChI:
InChI=1S/C19H20O/c20-18-14-13-17(12-11-15-7-3-1-4-8-15)19(18)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2/t17-,19+/m0/s1
InChI Key:
JPVLYOAMTSRVAK-PKOBYXMFSA-N
SMILES:
O=C1CC[C@@H]([C@H]1c1ccccc1)CCc1ccccc1
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.151g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.368g/mol
Monoisotopic Mass:
264.151g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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