Basic information
- CAS
1146292-93-4- Standard SMILES
CCOc1ccc2nnc(C(=O)O)nc2c1- InChIKey
MCJNYPHHSZTAEL-UHFFFAOYSA-N- Molecular formula
- C10H9N3O3
- Average molar mass
- 219.2 g/mol
- Monoisotopic mass
- 219.06439116
Names & identifiers
- Preferred name
- 1,2,4-Benzotriazine-3-carboxylic acid, 6-ethoxy-
- IUPAC
- 6-ethoxy-1,2,4-benzotriazine-3-carboxylic acid
Names & synonyms
1,2,4-Benzotriazine-3-carboxylic acid, 6-ethoxy-DTXSID9012362271146292-93-46-Ethoxy-1,2,4-benzotriazine-3-carboxylic acid
Database identifiers
- CAS
1146292-93-4- PubChem CID
- 39733158
- DTXSID
DTXSID901236227
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…