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3-(furan-2-ylmethylidene)piperazine-2,5-dione

3-(furan-2-ylmethylidene)piperazine-2,5-dione

CAS: 155527-33-6

Formula: C9H8N2O3

SMILES: O=C1CNC(=O)C(N1)=CC1=CC=CO1

IUPAC: 3-[(furan-2-yl)methylidene]piperazine-2,5-dione

InChI: InChI=1S/C9H8N2O3/c12-8-5-10-9(13)7(11-8)4-6-2-1-3-14-6/h1-4H,5H2,(H,10,13)(H,11,12)

Composition: C (56.25%), H (4.20%), N (14.58%), O (24.98%)

Molar Mass: 192.174

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.053492126
Formal Charge 0
FSP3 0.11
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey PTQUYLDFHURNBC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.68
Topological Polar Surface Area 71.34
Polarizability 17.94
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 155527-33-6 $51.35-$86.31$51.35$63.37$86.31
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