Homoveratrylsydnone
3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate
Also Known As: Homoveratrylsydnone|3-Homoveratylsydnone|Sydnone, 3-(2-(3,4-dimethoxyphenyl)ethyl)-|Sydnone,4-dimethoxyphenyl)ethyl]-|3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate|Sydnone, 3-[2-(3,4-dimethoxyphenyl)ethyl]-|3-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3-oxadiazol-3-ium-5-olate|1,2,3-Oxadiazolium, 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-, inner salt|1,2,3-Oxadiazolium,3-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-, inner salt
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.09535 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Monoisotopic Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 7356-62-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC[N+]2=NOC(=C2)[O-])OC |
| InChIKey | JTPXIVVCGJGWEW-UHFFFAOYSA-N |
Product Overview
Homoveratrylsydnone (CAS 7356-62-9), with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol. IUPAC: 3-[2-(3,4-dimethoxyphenyl)ethyl]oxadiazol-3-ium-5-olate.
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