1-(1,3-Benzodioxol-5-yl)-2-pyridazin-3-ylethanol
Basic information
- CAS
83539-90-6- Standard SMILES
OC(Cc1cccnn1)c1ccc2c(c1)OCO2- InChIKey
JPGUQRFTPCNMCV-UHFFFAOYSA-N- Molecular formula
- C13H12N2O3
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.08479225
Names & identifiers
- Preferred name
- 1-(1,3-Benzodioxol-5-yl)-2-pyridazin-3-ylethanol
- IUPAC
- 1-(1,3-benzodioxol-5-yl)-2-pyridazin-3-ylethanol
Names & synonyms
83539-90-61-(1,3-benzodioxol-5-yl)-2-pyridazin-3-ylethanolNSC291041DTXSID80315008NSC-2910411-(2H-1,3-Benzodioxol-5-yl)-2-(pyridazin-3-yl)ethan-1-ol
Database identifiers
- CAS
83539-90-6- PubChem CID
- 324741
- DTXSID
DTXSID80315008
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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