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15982-59-9 | 1,4-Butanedione, 2-methyl-1,4-diphenyl-
CAS No: 15982-59-9 Catalog No: AG001REW MDL No:
Product Description
Catalog Number:
AG001REW
Chemical Name:
1,4-Butanedione, 2-methyl-1,4-diphenyl-
CAS Number:
15982-59-9
Molecular Formula:
C17H16O2
Molecular Weight:
252.3077
IUPAC Name:
2-methyl-1,4-diphenylbutane-1,4-dione
InChI:
InChI=1S/C17H16O2/c1-13(17(19)15-10-6-3-7-11-15)12-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChI Key:
NZKWSTSDWYNHNS-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1ccccc1)CC(=O)c1ccccc1
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.115g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.313g/mol
Monoisotopic Mass:
252.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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