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2-[2-(4-acetylphenyl)diazen-1-yl]-5,5-dimethylcyclohexane-1,3-dione

2-[2-(4-acetylphenyl)diazen-1-yl]-5,5-dimethylcyclohexane-1,3-dione

Formula: C16H18N2O3

SMILES: CC(=O)C1=CC=C(C=C1)N=NC1C(=O)CC(C)(C)CC1=O

IUPAC: 2-[2-(4-acetylphenyl)diazen-1-yl]-5,5-dimethylcyclohexane-1,3-dione

InChI: InChI=1S/C16H18N2O3/c1-10(19)11-4-6-12(7-5-11)17-18-15-13(20)8-16(2,3)9-14(15)21/h4-7,15H,8-9H2,1-3H3

Composition: C (67.12%), H (6.34%), N (9.78%), O (16.76%)

Molar Mass: 286.331

Atom Count: 39

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.131742448
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey RZSXMYBPTWVGNQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 80.03
Topological Polar Surface Area 75.93
Polarizability 29.9
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H18N2O3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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