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

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

CAS: 245049-70-1

Formula: C8H6N2O6

SMILES: ON1C(=O)C2C(C3C2C(=O)N(O)C3=O)C1=O

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

InChI: InChI=1S/C8H6N2O6/c11-5-1-2(6(12)9(5)15)4-3(1)7(13)10(16)8(4)14/h1-4,15-16H

Composition: C (42.49%), H (2.67%), N (12.39%), O (42.45%)

Molar Mass: 226.144

Atom Count: 22

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 226.022585921
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey HONIHRUONDEYHT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.38
Topological Polar Surface Area 115.22
Polarizability 17.58
Ring Count 3
Rotatable Bond Count 0

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Purity LeadTime CAS UnitPrice
98% <10 Days 245049-70-1 Quote Only
Molecule Market Select
Purity LeadTime CAS UnitPrice
98% <14 Days 245049-70-1 Quote Only