3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate
Basic information
- CAS
2971-27-9- Standard SMILES
CCCCOC(=O)Oc1ccc(=O)[nH]n1- InChIKey
UMKFPHKVWLBQQX-UHFFFAOYSA-N- Molecular formula
- C9H12N2O4
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.07970687
Names & identifiers
- Preferred name
- 3(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate
- IUPAC
- butyl (6-oxo-1H-pyridazin-3-yl) carbonate
Names & synonyms
BRN 01983773(2H)-Pyridazinone, 6-hydroxy-, butoxycarboxylate2971-27-9n-Butyl 2,3-dihydro-3-oxo-6-pyridazinyl carbonate2,3-Dihydroxy-6-hydroxypyridazin-3-one butoxycarboxylateDTXSID501838574-25-00-00025 (Beilstein Handbook Reference)RefChem:269688DTXCID90106348butyl 6-oxo-1,6-dihydropyridazin-3-yl carbonate
Database identifiers
- CAS
2971-27-9- PubChem CID
- 200950
- DTXSID
DTXSID50183857- Nikkaji
- J51.271K
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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