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20698-95-7 | 1-Butanone, 1,3-diphenyl-, (3S)-
CAS No: 20698-95-7 Catalog No: AG002ISP MDL No:
Product Description
Catalog Number:
AG002ISP
Chemical Name:
1-Butanone, 1,3-diphenyl-, (3S)-
CAS Number:
20698-95-7
Molecular Formula:
C16H16O
Molecular Weight:
224.2976
IUPAC Name:
(3S)-1,3-diphenylbutan-1-one
InChI:
InChI=1S/C16H16O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3/t13-/m0/s1
InChI Key:
GIVFXLVPKFXTCU-ZDUSSCGKSA-N
SMILES:
C[C@H](c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.303g/mol
Monoisotopic Mass:
224.12g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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