Ethyl 6-(hydroxymethyl)pyridazine-3-carboxylate
Basic information
- CAS
604000-36-4- Standard SMILES
CCOC(=O)c1ccc(CO)nn1- InChIKey
RAAFTJJISHUISS-UHFFFAOYSA-N- Molecular formula
- C8H10N2O3
- Average molar mass
- 182.18 g/mol
- Monoisotopic mass
- 182.06914219
Names & identifiers
- Preferred name
- Ethyl 6-(hydroxymethyl)pyridazine-3-carboxylate
- IUPAC
- ethyl 6-(hydroxymethyl)pyridazine-3-carboxylate
Names & synonyms
604000-36-4ethyl 6-(hydroxymethyl)pyridazine-3-carboxylateethyl 6-(hydroxymethyl)-3-pyridazinecarboxylateSCHEMBL1646668RAAFTJJISHUISS-UHFFFAOYSA-NDTXSID501243884DA-33725
Database identifiers
- CAS
604000-36-4- PubChem CID
- 18442007
- DTXSID
DTXSID501243884
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 72.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…