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122934-61-6 | 1-Pentanone, 3-hydroxy-1,3-diphenyl-
CAS No: 122934-61-6 Catalog No: AG000JSI MDL No:
Product Description
Catalog Number:
AG000JSI
Chemical Name:
1-Pentanone, 3-hydroxy-1,3-diphenyl-
CAS Number:
122934-61-6
Molecular Formula:
C17H18O2
Molecular Weight:
254.3236
IUPAC Name:
3-hydroxy-1,3-diphenylpentan-1-one
InChI:
InChI=1S/C17H18O2/c1-2-17(19,15-11-7-4-8-12-15)13-16(18)14-9-5-3-6-10-14/h3-12,19H,2,13H2,1H3
InChI Key:
CZWGNQLDDVLEQP-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)(CC(=O)c1ccccc1)O
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
5
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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