Phenyl(7h-purin-8-yl)methanol
Basic information
- CAS
2836-31-9- Standard SMILES
OC(c1ccccc1)c1nc2ncncc2[nH]1- InChIKey
CWHCPULSSXOYNY-UHFFFAOYSA-N- Molecular formula
- C12H10N4O
- Average molar mass
- 226.23 g/mol
- Monoisotopic mass
- 226.08546096
Names & identifiers
- Preferred name
- Phenyl(7h-purin-8-yl)methanol
- IUPAC
- phenyl(7H-purin-8-yl)methanol
Names & synonyms
2836-31-9Phenyl(9H-purin-8-yl)methanolphenyl(7h-purin-8-yl)methanolNSC80599DTXSID80292168NSC-80599
Database identifiers
- CAS
2836-31-9- PubChem CID
- 255248
- DTXSID
DTXSID80292168
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
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Compound notes
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