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20834-02-0 | Cyclohexanone, 2,6-diphenyl-, (2R,6S)-rel-
CAS No: 20834-02-0 Catalog No: AG002JNE MDL No:
Product Description
Catalog Number:
AG002JNE
Chemical Name:
Cyclohexanone, 2,6-diphenyl-, (2R,6S)-rel-
CAS Number:
20834-02-0
Molecular Formula:
C18H18O
Molecular Weight:
250.3349
IUPAC Name:
(2S,6R)-2,6-diphenylcyclohexan-1-one
InChI:
InChI=1S/C18H18O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2/t16-,17+
InChI Key:
JHMUMWBKYPMOLI-CALCHBBNSA-N
SMILES:
O=C1[C@H](CCC[C@H]1c1ccccc1)c1ccccc1
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
250.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.341g/mol
Monoisotopic Mass:
250.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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