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139373-54-9 | 2-Pentanone, 3-methyl-5-phenyl-3-(2-phenylethyl)-
CAS No: 139373-54-9 Catalog No: AG001AWM MDL No:
Product Description
Catalog Number:
AG001AWM
Chemical Name:
2-Pentanone, 3-methyl-5-phenyl-3-(2-phenylethyl)-
CAS Number:
139373-54-9
Molecular Formula:
C20H24O
Molecular Weight:
280.4040
IUPAC Name:
3-methyl-5-phenyl-3-(2-phenylethyl)pentan-2-one
InChI:
InChI=1S/C20H24O/c1-17(21)20(2,15-13-18-9-5-3-6-10-18)16-14-19-11-7-4-8-12-19/h3-12H,13-16H2,1-2H3
InChI Key:
YYLWKACGCPFMID-UHFFFAOYSA-N
SMILES:
CC(=O)C(CCc1ccccc1)(CCc1ccccc1)C
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.183g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.411g/mol
Monoisotopic Mass:
280.183g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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