Purin-2(3H)-one, 3-hydroxy-
Basic information
- CAS
54643-52-6- Standard SMILES
O=c1ncc2[nH]cnc2n1O- InChIKey
KHVYUEUWUXXHEL-UHFFFAOYSA-N- Molecular formula
- C5H4N4O2
- Average molar mass
- 152.11 g/mol
- Monoisotopic mass
- 152.03342538
Names & identifiers
- Preferred name
- Purin-2(3H)-one, 3-hydroxy-
- IUPAC
- 3-hydroxy-7H-purin-2-one
Names & synonyms
Purin-2(3H)-one, 3-hydroxy-54643-52-63-Hydroxy-2-oxopurine3-Hydroxypurin-2(3H)-one3-hydroxy-3,7-dihydro-2H-purin-2-oneSCHEMBL17386524DTXSID20203076
Database identifiers
- CAS
54643-52-6- PubChem CID
- 198330
- DTXSID
DTXSID20203076
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 217
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Compound notes
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