Basic information
- Standard SMILES
COC(=O)c1cc2cnn(C(C)=O)c2cc1C- InChIKey
CJBJRTDUFGBNEC-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- methyl 1-acetyl-6-methyl-1H-indazole-5-carboxylate
- IUPAC
- methyl 1-acetyl-6-methylindazole-5-carboxylate
Names & synonyms
methyl 1-acetyl-6-methyl-1H-indazole-5-carboxylate478837-43-3SCHEMBL5413013CJBJRTDUFGBNEC-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22933897
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 332
Related reactions
2 records
Compound notes
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