Basic information
- CAS
89508-86-1- Standard SMILES
O=c1cc(O)nc(-c2ccc3c(c2)OCO3)[nH]1- InChIKey
ZPIQRXQODZZIQA-UHFFFAOYSA-N- Molecular formula
- C11H8N2O4
- Average molar mass
- 232.19 g/mol
- Monoisotopic mass
- 232.04840674
Names & identifiers
- Preferred name
- 2-(2H-1,3-Benzodioxol-5-yl)-6-hydroxypyrimidin-4(3H)-one
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-4-hydroxy-1H-pyrimidin-6-one
Names & synonyms
89508-86-12-(Benzo[d][1,3]dioxol-5-yl)-6-hydroxypyrimidin-4(1H)-oneSCHEMBL10498506DTXSID906032262-(2H-1,3-Benzodioxol-5-yl)-6-hydroxypyrimidin-4(3H)-oneAKOS012921781
Database identifiers
- CAS
89508-86-1- PubChem CID
- 20165500
- DTXSID
DTXSID90603226
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 80.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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