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89010-52-6 | 1,3-Butanedione, 2-[(2-methylphenyl)azo]-1-phenyl-
CAS No: 89010-52-6 Catalog No: AG0042V4 MDL No:
Product Description
Catalog Number:
AG0042V4
Chemical Name:
1,3-Butanedione, 2-[(2-methylphenyl)azo]-1-phenyl-
CAS Number:
89010-52-6
Molecular Formula:
C17H16N2O2
Molecular Weight:
280.3211
IUPAC Name:
2-[(2-methylphenyl)diazenyl]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C17H16N2O2/c1-12-8-6-7-11-15(12)18-19-16(13(2)20)17(21)14-9-4-3-5-10-14/h3-11,16H,1-2H3
InChI Key:
KUMIKCYKSCVGJM-UHFFFAOYSA-N
SMILES:
CC(=O)C(C(=O)c1ccccc1)N=Nc1ccccc1C
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.327g/mol
Monoisotopic Mass:
280.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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