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13148-19-1 | 1,3-Butanedione, 1,2-diphenyl-
CAS No: 13148-19-1 Catalog No: AG000WAA MDL No:
Product Description
Catalog Number:
AG000WAA
Chemical Name:
1,3-Butanedione, 1,2-diphenyl-
CAS Number:
13148-19-1
Molecular Formula:
C16H14O2
Molecular Weight:
238.2812
IUPAC Name:
1,2-diphenylbutane-1,3-dione
InChI:
InChI=1S/C16H14O2/c1-12(17)15(13-8-4-2-5-9-13)16(18)14-10-6-3-7-11-14/h2-11,15H,1H3
InChI Key:
CMLIMJTZVBNQCA-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)c1ccccc1
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.099g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.286g/mol
Monoisotopic Mass:
238.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| 1,5-Dimethyl-4-(1-methyl-3-oxo-3-phenylprop-1-enyl-amino)-2-phenyl-1H-pyrazol-3(2H)-one. | Acta crystallographica. Section E, Structure reports online 20110701 |
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