Isomalic acid
PubChem CID: 136386
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Methyltartronic acid, DL-Methyltartronic acid, 595-48-2, 2-Hydroxy-2-methylpropanedioic acid, Isomalic acid, 2-Hydroxy-2-methylmalonic acid, 2-Methyltartronic acid, Tartronic acid, methyl-, 2-Hydroxy-2-methylmalonate, U6K2REG9Q6, Hydroxymethylpropanedioic acid, 595-98-2, Propanedioic acid, hydroxymethyl-, hydroxymethylmalonic acid, C-METHYLTARTRONIC ACID, EINECS 209-868-7, BRN 1766104, PROPANEDIOIC ACID, 2-HYDROXY-2-METHYL-, 3-03-00-00927 (Beilstein Handbook Reference), Isoapfelsaure, UNII-U6K2REG9Q6, SCHEMBL567250, DTXSID40208205, 2-Hydroxy-2-methylmalonic acid #, AKOS006273808, AT23393, Propanedioic acid, hydroxymethyl-(9CI), NS00043729, EN300-1719260, 209-868-7 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 135.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxy-2-methylpropanedioic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C4H6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LNRVTEQEGXVMEF-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | 0.426 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.887 |
| Compound Name | Isomalic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 134.09 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0875401999999998 |
| Inchi | InChI=1S/C4H6O5/c1-4(9,2(5)6)3(7)8/h9H,1H3,(H,5,6)(H,7,8) |
| Smiles | CC(C(=O)O)(C(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients