2,4(1H,3H)-Pteridinedione, 1-hydroxy-
Basic information
- CAS
37440-27-0- Standard SMILES
O=c1[nH]c(=O)n(O)c2nccnc12- InChIKey
RHQIHQYLTHDOFU-UHFFFAOYSA-N- Molecular formula
- C6H4N4O3
- Average molar mass
- 180.12 g/mol
- Monoisotopic mass
- 180.02834
Names & identifiers
- Preferred name
- 2,4(1H,3H)-Pteridinedione, 1-hydroxy-
- IUPAC
- 1-hydroxypteridine-2,4-dione
Names & synonyms
37440-27-02,4(1H,3H)-Pteridinedione, 1-hydroxy-DTXSID609585381,4-Dihydroxypteridin-2(1H)-one
Database identifiers
- CAS
37440-27-0- PubChem CID
- 186602
- DTXSID
DTXSID60958538
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 95.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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