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3-(phenylmethylidene)piperazine-2,5-dione

3-(phenylmethylidene)piperazine-2,5-dione

CAS: 63822-72-0

Formula: C11H10N2O2

SMILES: O=C1CNC(=O)C(N1)=CC1=CC=CC=C1

IUPAC: 3-(phenylmethylidene)piperazine-2,5-dione

InChI: InChI=1S/C11H10N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,15)(H,13,14)

Composition: C (65.34%), H (4.98%), N (13.85%), O (15.82%)

Molar Mass: 202.213

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 202.07422757
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey AFBRZIIBSVQJPB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.29
Topological Polar Surface Area 58.2
Polarizability 20.98
Ring Count 2
Rotatable Bond Count 1

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90% <2 Days 63822-72-0 $51.35-$86.31$51.35$63.37$86.31
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