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120-46-7 | 1,3-Propanedione, 1,3-diphenyl-
CAS No: 120-46-7 Catalog No: AG000Q0W MDL No:MFCD00003085
Product Description
Catalog Number:
AG000Q0W
Chemical Name:
1,3-Propanedione, 1,3-diphenyl-
CAS Number:
120-46-7
Molecular Formula:
C15H12O2
Molecular Weight:
224.2546
MDL Number:
MFCD00003085
IUPAC Name:
1,3-diphenylpropane-1,3-dione
InChI:
InChI=1S/C15H12O2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-10H,11H2
InChI Key:
NZZIMKJIVMHWJC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(=O)c1ccccc1
EC Number:
204-398-9
UNII:
ANS7ME8OKC
NSC Number:
6266
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.259g/mol
Monoisotopic Mass:
224.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
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