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781-35-1 | 1,1-Diphenylpropan-2-one
CAS No: 781-35-1 Catalog No: AG003D91 MDL No:MFCD00008759
Product Description
Catalog Number:
AG003D91
Chemical Name:
1,1-Diphenylpropan-2-one
CAS Number:
781-35-1
Molecular Formula:
C15H14O
Molecular Weight:
210.2711
MDL Number:
MFCD00008759
IUPAC Name:
1,1-diphenylpropan-2-one
InChI:
InChI=1S/C15H14O/c1-12(16)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,1H3
InChI Key:
DBNWBEGCONIRGQ-UHFFFAOYSA-N
SMILES:
CC(=O)C(c1ccccc1)c1ccccc1
EC Number:
212-307-9
NSC Number:
400472
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.276g/mol
Monoisotopic Mass:
210.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Literature
| Title | Journal |
|---|---|
| 4-Amino-1-(2-benzoyl-1-phenyl-eth-yl)-3-phenyl-1H-1,2,4-triazol-5(4H)-thione. | Acta crystallographica. Section E, Structure reports online 20110201 |
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