Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate
Basic information
- CAS
76798-75-9- Standard SMILES
CCOC(=O)c1ccc2c(=O)[nH]nc(CO)c2c1- InChIKey
MXYNXYMDSSROKW-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
- Monoisotopic mass
- 248.07970687
Names & identifiers
- Preferred name
- Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylate
- IUPAC
- ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylate
Names & synonyms
76798-75-9Ethyl 1-hydroxy-4-(hydroxymethyl)-6-phthalazinecarboxylateethyl 1-hydroxy-4-(hydroxymethyl)phthalazine-6-carboxylateNSC352298ethyl 4-(hydroxymethyl)-1-oxo-2H-phthalazine-6-carboxylateNSC 352298DTXSID80998118NSC-352298
Database identifiers
- CAS
76798-75-9- PubChem CID
- 336828
- DTXSID
DTXSID80998118
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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