Methyl Lactate
PubChem CID: 11040
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| Compound Synonyms | METHYL LACTATE, 547-64-8, Methyl DL-lactate, Methyl 2-hydroxypropanoate, DL-Methyl lactate, Lactic acid, methyl ester, Methyl 2-hydroxypropionate, Lactic Acid Methyl Ester, Propanoic acid, 2-hydroxy-, methyl ester, (+-)-Methyl lactate, Methyl alpha-hydroxypropionate, (+-)-Methyl 2-hydroxypropanoate, (+-)-Methyl 2-hydroxypropionate, 2-Hydroxypropanoic acid methyl ester, HSDB 5687, EINECS 208-930-0, EINECS 218-449-8, NSC 406248, DTXSID0027197, UNII-H10S91526X, CHEBI:83221, AI3-00584, (+/-)-methyl lactate, NSC-406248, METHYL LACTATE [MI], METHYL LACTATE, DL-, Lactic acid, methyl ester, (.+/-.)-, DTXCID407197, Propanoic acid, 2-hydroxy-, methyl ester, (.+/-.)-, H10S91526X, (+/-)-METHYL 2-HYDROXYPROPANOATE, (+/-)-METHYL 2-HYDROXYPROPIONATE, methyl-lactate, methyl RS-lactate, RS-methyl lactate, racemic methyl lactate, Methyl 2hydroxypropanoate, Methyl 2hydroxypropionate, Methyl alphahydroxypropionate, NCIOpen2_003771, SCHEMBL27382, Methyl 2-hydroxypropanoate #, METHYL LACTATE [INCI], Propanoic acid, 2-hydroxy-, methyl ester, (+/-)-, CHEMBL3183351, (+/-)-Methyl-2-hydroxypropanoate, 2Hydroxypropanoic acid methyl ester, BCP26004, BCP26214, Tox21_200447, MFCD00066367, NSC406248, STL280328, 2-Hydroxy-propanoic acid methyl ester, Methyl L-lactate, (S)-Methyl lactate, AKOS009156958, Lactic acid, methyl ester, (+/-)-, Propanoic acid, 2hydroxy, methyl ester, Methyl DL-lactate, >=97.0% (GC), NCGC00248621-01, NCGC00258001-01, 2155-30-8, CAS-547-64-8, LS-13001, L0004, NS00077405, EN300-181677, F81520, S-methyl lactate, (S)-methyl 2-hydroxypropanoate, Propanoic acid, 2-hydroxy-, methyl ester, (R)-, Q11370589, (R)-Methyl 2-hydroxypropanoate, Methyl D-lactate, D-Lactic acid methyl ester, 208-930-0, 218-449-8 |
|---|---|
| Topological Polar Surface Area | 46.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 7.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.3 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl 2-hydroxypropanoate |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C4H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LPEKGGXMPWTOCB-UHFFFAOYSA-N |
| Fcsp3 | 0.75 |
| Logs | 0.709 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.356 |
| Compound Name | Methyl Lactate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 104.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 104.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 104.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.26525099999999985 |
| Inchi | InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3 |
| Smiles | CC(C(=O)OC)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all