Basic information
- CAS
66760-21-2- Standard SMILES
COc1cc(C(=O)OCCn2cncn2)cc(OC)c1OC- InChIKey
YNEMAUAUYCTKBH-UHFFFAOYSA-N- Molecular formula
- C14H17N3O5
- Average molar mass
- 307.3 g/mol
- Monoisotopic mass
- 307.11682065
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl ester
- IUPAC
- 2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
Names & synonyms
66760-21-2BRN 05715662-(1H-1,2,4-Triazol-1-yl)ethyl 3,4,5-trimethoxybenzoateBenzoic acid, 3,4,5-trimethoxy-, 2-(1H-1,2,4-triazol-1-yl)ethyl esterDTXSID50216896Trimethoxy-3,4,5 benzoate d'(hydroxy-2 ethyl)-1 triazole-1,2,4RefChem:327000DTXCID801393872-(1H-1,2,4-Triazol-1-yl)ethyl3,4,5-trimethoxybenzoate
Database identifiers
- CAS
66760-21-2- PubChem CID
- 3045265
- DTXSID
DTXSID50216896
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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