Basic information
- CAS
16870-90-9- Standard SMILES
O=c1[nH]c(=O)c2c(ncn2O)[nH]1- InChIKey
RHZHJSCNWUGABX-UHFFFAOYSA-N- Molecular formula
- C5H4N4O3
- Average molar mass
- 168.11 g/mol
- Monoisotopic mass
- 168.02834
Names & identifiers
- Preferred name
- Trioxypurin
- IUPAC
- 7-hydroxy-3H-purine-2,6-dione
Names & synonyms
TrioxypurinDTXSID009375292,6-Dihydroxy-7H-purin-9-ium-7-olate
Database identifiers
- CAS
16870-90-9- PubChem CID
- 134591
- Nikkaji
- J36.581E
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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