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4,9-diazatricyclo[5.3.0.0²,?]decane-3,5,8,10-tetrone

4,9-diazatricyclo[5.3.0.0²,?]decane-3,5,8,10-tetrone

CAS: 4415-88-7

Formula: C8H6N2O4

SMILES: O=C1NC(=O)C2C1C1C2C(=O)NC1=O

IUPAC: 4,9-diazatricyclo[5.3.0.0²,?]decane-3,5,8,10-tetrone

InChI: InChI=1S/C8H6N2O4/c11-5-1-2(6(12)9-5)4-3(1)7(13)10-8(4)14/h1-4H,(H,9,11,12)(H,10,13,14)

Composition: C (49.49%), H (3.12%), N (14.43%), O (32.96%)

Molar Mass: 194.146

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 194.032756681
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey NWRWMFOKSXWCHV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.85
Topological Polar Surface Area 92.34
Polarizability 16.12
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 4415-88-7 $104.94-$1,251.36$104.94$177.21$297.99$595.98$893.97$1,251.36
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