Basic information
- CAS
1337881-46-5- Standard SMILES
COC(=O)n1ncc2ccc(C(=O)OC(C)(C)C)cc21- InChIKey
IBUULZQOBXODIW-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.111007
Names & identifiers
- Preferred name
- 1H-Indazole-1,6-dicarboxylic acid, 6-(1,1-dimethylethyl) 1-methyl ester
- IUPAC
- 6-O-tert-butyl 1-O-methyl indazole-1,6-dicarboxylate
Names & synonyms
1337881-46-51H-Indazole-1,6-dicarboxylic acid, 6-(1,1-dimethylethyl) 1-methyl esterDTXSID901150865AC-305426-tert-Butyl 1-methyl 1H-indazole-1,6-dicarboxylate6-(1,1-Dimethylethyl) 1-methyl 1H-indazole-1,6-dicarboxylate
Database identifiers
- CAS
1337881-46-5- PubChem CID
- 71307643
- DTXSID
DTXSID901150865
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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