7H-purine-8-carbaldehyde
Basic information
- CAS
56805-26-6- Standard SMILES
O=Cc1nc2ncncc2[nH]1- InChIKey
CBAXVPCTBZORMR-UHFFFAOYSA-N- Molecular formula
- C6H4N4O
- Average molar mass
- 148.12 g/mol
- Monoisotopic mass
- 148.03851076
Names & identifiers
- Preferred name
- 7H-purine-8-carbaldehyde
- IUPAC
- 7H-purine-8-carbaldehyde
- English name
- 1H-Purine-8-carboxaldehyde (9CI)
- Molecular formula
- C6H4N4O
- Molecular weight
- 148.12
Names & synonyms
7H-purine-8-carbaldehyde56805-26-61H-Purine-8-carbaldehyde1H-PURINE-8-CARBOXALDEHYDE7H-Purine-8-carboxaldehydepurine-8-aldehyde1H-Purine-8-carbaldehyde #SCHEMBL2004986SCHEMBL2004989SCHEMBL2004991SCHEMBL29952244DTXSID50338380
Show more names
9H-Purine-8-carboxaldehyde1H-Purine-8-carboxaldehyde (9CI)
CBAXVPCTBZORMR-UHFFFAOYSA-NDB-259609CS-0453788
Database identifiers
- CAS
56805-26-6- PubChem CID
- 548806
- DTXSID
DTXSID50338380- Nikkaji
- J117.100C
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
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Related reactions
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Compound notes
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