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116822-13-0 | 1,3-Cyclohexanedione, 2-[2-(2-hydroxy-4-methylphenyl)diazenyl]-5,5-dimethyl-
CAS No: 116822-13-0 Catalog No: AG000D9D MDL No:
Product Description
Catalog Number:
AG000D9D
Chemical Name:
1,3-Cyclohexanedione, 2-[2-(2-hydroxy-4-methylphenyl)diazenyl]-5,5-dimethyl-
CAS Number:
116822-13-0
Molecular Formula:
C15H18N2O3
Molecular Weight:
274.3150
IUPAC Name:
2-[(2-hydroxy-4-methylphenyl)diazenyl]-5,5-dimethylcyclohexane-1,3-dione
InChI:
InChI=1S/C15H18N2O3/c1-9-4-5-10(11(18)6-9)16-17-14-12(19)7-15(2,3)8-13(14)20/h4-6,14,18H,7-8H2,1-3H3
InChI Key:
UHJBNAIFGIAWKQ-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)CC(=O)C1N=Nc1ccc(cc1O)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.32g/mol
Monoisotopic Mass:
274.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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