Monoethyl citrate
2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid
Also Known As: 1-Ethyl citrate|monoethyl citrate|Ethyl citrate|(+/-)-1-Ethyl citrate|Citric acid, 1-ethyl ester|Citronensaureathylester|1-Ethyl=dihydrogen=citrate|EINECS 250-122-5|2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid|Citric acid dihydrogen 1-ethyl ester|2-(2-ethoxy-2-oxoethyl)-2-hydroxysuccinic acid|Ethyl dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1-ethyl ester|J2.016.403D|1-Ethyl 2-hydroxy-1,2,3-propanetricarboxylate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, monoethyl ester|2-(ethoxycarbonylmethyl)-2-hydroxy-butanedioic acid|ethyldihydrogen2-hydroxypropane-1,2,3-tricarboxylate|1,2,3-Propanetricarboxylic acid, 2-hydroxy-, ethyl ester|250-122-5
| Molecular Formula | C8H12O7 |
|---|---|
| Molecular Weight | 220.0583 g/mol |
| LogP | -0.77 |
| Topological Polar Surface Area | 121.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.0583 |
| Heavy Atoms | 15 |
| Complexity | 272.2 |
Chemical Identifiers
| CAS Number | 4552-00-5 |
|---|---|
| SMILES | CCOC(=O)CC(CC(=O)O)(C(=O)O)O |
Product Overview
Monoethyl citrate (CAS 4552-00-5), with molecular formula C8H12O7 and molecular weight 220.0583 g/mol. IUPAC: 2-(2-ethoxy-2-oxoethyl)-2-hydroxybutanedioic acid.
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