Methyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)oxirane-2-carboxylate
Basic information
- CAS
124940-35-8- Standard SMILES
COC(=O)C1OC1c1cn(Cc2ccccc2)nn1- InChIKey
BJEVWCJHAYHTKW-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- Methyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)oxirane-2-carboxylate
- IUPAC
- methyl 3-(1-benzyltriazol-4-yl)oxirane-2-carboxylate
Names & synonyms
DTXSID601130119Methyl 3-(1-benzyl-1H-1,2,3-triazol-4-yl)oxirane-2-carboxylate2-Oxiranecarboxylic acid, 3-[1-(phenylmethyl)-1H-1,2,3-triazol-4-yl]-, methyl ester124940-35-8
Database identifiers
- CAS
124940-35-8- PubChem CID
- 165342002
- DTXSID
DTXSID601130119
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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