Basic information
- CAS
1167056-34-9- Standard SMILES
COc1cc(OCc2ccccc2)cc2c(C(=O)O)n[nH]c12- InChIKey
XAMIPXOJXLBSGY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.09535693
Names & identifiers
- Preferred name
- 5-BENZYLOXY-7-methoxy-1H-indazole-3-carboxylic acid
- IUPAC
- 7-methoxy-5-phenylmethoxy-1H-indazole-3-carboxylic acid
Names & synonyms
1167056-34-95-(benzyloxy)-7-methoxy-1H-indazole-3-carboxylic acid1H-Indazole-3-carboxylic acid, 7-methoxy-5-(phenylmethoxy)-5-BENZYLOXY-7-methoxy-1H-indazole-3-carboxylic acidDTXSID9011982877-methoxy-5-phenylmethoxy-1H-indazole-3-carboxylic acid7-Methoxy-5-(phenylmethoxy)-1H-indazole-3-carboxylic acid
Database identifiers
- CAS
1167056-34-9- PubChem CID
- 53399486
- DTXSID
DTXSID901198287
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…