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163086-00-8 | 1-Pentanone, 3-hydroxy-1,5-diphenyl-, (3S)-
CAS No: 163086-00-8 Catalog No: AG001TOP MDL No:
Product Description
Catalog Number:
AG001TOP
Chemical Name:
1-Pentanone, 3-hydroxy-1,5-diphenyl-, (3S)-
CAS Number:
163086-00-8
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
(3S)-3-hydroxy-1,5-diphenylpentan-1-one
InChI:
InChI=1S/C17H18O2/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15/h1-10,16,18H,11-13H2/t16-/m0/s1
InChI Key:
QJUWGGININGVSC-INIZCTEOSA-N
SMILES:
O[C@H](CC(=O)c1ccccc1)CCc1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
254.131g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.329g/mol
Monoisotopic Mass:
254.131g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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