AC1O5IRA
diethyl-[2-[2-(3,4,5-trimethoxyphenoxy)acetyl]oxyethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate
Also Known As: VUFB-5054|2-Diethylaminoethyl 3,4,5-trimethoxyphenoxyacetate hydrogen maleate|(3,4,5-Trimethoxyphenoxy)acetic acid 2-(diethylamino)ethyl ester maleate|Acetic acid, (3,4,5-trimethoxyphenoxy)-, 2-(diethylamino)ethyl ester, (Z)-2-butenedioate (1:1)|diethyl-[2-[2-(3,4,5-trimethoxyphenoxy)acetyl]oxyethyl]azanium; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C21H31NO10 |
|---|---|
| Molecular Weight | 457.1948 g/mol |
| LogP | -1.0638 |
| Topological Polar Surface Area | 145.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 457.1948 |
| Monoisotopic Mass | 457.1948 |
| Heavy Atoms | 32 |
| Complexity | 717.9424 |
Chemical Identifiers
| CAS Number | 65876-34-8 |
|---|---|
| SMILES | CC[NH+](CC)CCOC(=O)COC1=CC(=C(C(=C1)OC)OC)OC.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
AC1O5IRA (CAS 65876-34-8), with molecular formula C21H31NO10 and molecular weight 457.1948 g/mol. IUPAC: diethyl-[2-[2-(3,4,5-trimethoxyphenoxy)acetyl]oxyethyl]azanium;(Z)-4-hydroxy-4-oxobut-2-enoate.
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