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3-(phenylamino)cyclohex-2-en-1-one

3-(phenylamino)cyclohex-2-en-1-one

Formula: C12H13NO

SMILES: O=C1CCCC(NC2=CC=CC=C2)=C1

IUPAC: 3-(phenylamino)cyclohex-2-en-1-one

InChI: InChI=1S/C12H13NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-3,5-6,9,13H,4,7-8H2

Composition: C (76.98%), H (7.00%), N (7.48%), O (8.54%)

Molar Mass: 187.242

Atom Count: 27

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.099714043
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IVONJXTZXFTWNA-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.38
Topological Polar Surface Area 29.1
Polarizability 21.63
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
98% <7 Days C12H13NO $139.73-$351.90$139.73$351.90
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Purity LeadTime Formula PacketSize UnitPrice
90% <6 Days C12H13NO $241.50-$289.80$241.50$258.75$289.80
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90% <16 Days C12H13NO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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