Basic information
- Standard SMILES
CCOCn1c(=O)c2[nH]cnc2n(C)c1=O- InChIKey
OQXUQMGOLKZCFI-UHFFFAOYSA-N- Molecular formula
- C9H12N4O3
- Average molar mass
- 224.22 g/mol
Names & identifiers
- Preferred name
- 1-Ethoxymethyl-3-methylxanthine
- IUPAC
- 1-(ethoxymethyl)-3-methyl-7H-purine-2,6-dione
Names & synonyms
SCHEMBL74553631-Ethoxymethyl-3-methylxanthineOQXUQMGOLKZCFI-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 9815938
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 309
Related reactions
1 records
Compound notes
Loading…