Basic information
- CAS
883538-73-6- Standard SMILES
CCOc1ccccc1-n1nnc(C(=O)O)c1C- InChIKey
RWBSJSOLKFXQGX-UHFFFAOYSA-N- Molecular formula
- C12H13N3O3
- Average molar mass
- 247.25 g/mol
- Monoisotopic mass
- 247.09569129
Names & identifiers
- Preferred name
- 1-(2-Ethoxy-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid
- IUPAC
- 1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylic acid
- English name
- 1-(2-Ethoxy-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid
- Molecular formula
- C12H13N3O3
- Molecular weight
- 247.25
Names & synonyms
883538-73-61-(2-Ethoxy-phenyl)-5-methyl-1H-[1,2,3]triazole-4-carboxylic acid1-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid1-(2-ethoxyphenyl)-5-methyltriazole-4-carboxylic acid1-(2-ethoxyphenyl)-5-methyl-1,2,3-triazole-4-carboxylic acidDTXSID901174988STL139309AKOS000301684BS-4582CCG-127073CS-0313837ST50317107
Show more names
ASINEX-REAG BAS 131745961H-1,2,3-Triazole-4-carboxylic acid, 1-(2-ethoxyphenyl)-5-methyl-
1-(2-ethoxyphenyl)-5-methyl-triazole-4-carboxylic acid1-(2-ethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylicacid
Database identifiers
- CAS
883538-73-6- PubChem CID
- 6494331
- DTXSID
DTXSID901174988
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Physicochemical properties
- Boiling point
- 476.9 · 476.9±55.0 °C(Predicted)
- Density
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- pka
- 3.35 · 3.35±0.50(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…