Basic information
- CAS
5305-41-9- Standard SMILES
COc1nc[nH]c(=O)c1C=O- InChIKey
CXPAMBDUOMLICR-UHFFFAOYSA-N- Molecular formula
- C6H6N2O3
- Average molar mass
- 154.12 g/mol
- Monoisotopic mass
- 154.03784206
Names & identifiers
- Preferred name
- 1,6-Dihydro-4-methoxy-6-oxo-5-pyrimidinecarboxaldehyde
- IUPAC
- 4-methoxy-6-oxo-1H-pyrimidine-5-carbaldehyde
Names & synonyms
5305-41-91,6-Dihydro-4-methoxy-6-oxo-5-pyrimidinecarboxaldehydeRefChem:2215234-Methoxy-6-hydroxy-5-formylpyrimidinDTXSID901211063AKOS0023479476-Methoxy-4-oxo-1,4-dihydropyrimidine-5-carbaldehyde
Database identifiers
- CAS
5305-41-9- PubChem CID
- 722682
- DTXSID
DTXSID901211063
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 67.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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