Trimethyl 1,2,3-propanetricarboxylate
PubChem CID: 581486
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| Compound Synonyms | Trimethyl 1,2,3-propanetricarboxylate, 6138-26-7, Trimethyl propane-1,2,3-tricarboxylate, Tricarballylic acid trimethyl ester, UNII-SZ271Q89U2, 1,2,3-Propanetricarboxylic acid, trimethyl ester, Tricarballylic acid trimethyl ester [MI], SZ271Q89U2, 1,2,3-Propanetricarboxylic acid, 1,2,3-trimethyl ester, DTXSID80342415, 1,2,3-Propanetricarboxylic Acid Trimethyl Ester, MFCD00040552, Dimethyl 3-(Methoxycarbonyl)pentanedioate, trimethyl tricarballylate, TRIMETHYL 1,2,3-Propanetricarboxylic acid, SCHEMBL3237660, DTXCID00293495, AKOS027430476, Trimethylpropane-1,2,3-tricarboxylate, CS-W000025, DS-3254, DB-257199, NS00081534, T2429, 1,2,3-trimethyl propane-1,2,3-tricarboxylate, F16438, 3-(Methoxycarbonyl)pentanedioic Acid Dimethyl Ester, Q27289471 |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trimethyl propane-1,2,3-tricarboxylate |
| Prediction Hob | 1.0 |
| Xlogp | -0.3 |
| Molecular Formula | C9H14O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IXINWTSBOAMACD-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.763 |
| Rotatable Bond Count | 8.0 |
| Logd | 3.683 |
| Compound Name | Trimethyl 1,2,3-propanetricarboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 218.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.49477099999999985 |
| Inchi | InChI=1S/C9H14O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h6H,4-5H2,1-3H3 |
| Smiles | COC(=O)CC(CC(=O)OC)C(=O)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Homalomena Occulta (Plant) Rel Props:Source_db:cmaup_ingredients