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(-)-Methyl Lactate
CAS: 27871-49-4 | C4H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27871-49-4
Molecular Formula:
C4H8O3
Molecular Weight:
104.10499999999999 g/mol
Names and Synonyms:
(-)-Methyl Lactate
(2S)-2-Hydroxypropanoic acid methyl ester
Methyl (S)-2-hydroxypropanoate
Methyl (S)-2-hydroxypropionate
(-)-Methyl 2-hydroxypropionate
(-)-2-Hydroxypropionic acid methyl ester
Methyl (S)-(-)-lactate
(-)-Methyl lactate
(S)-(-)-Lactic acid methyl ester
(S)-Lactic acid methyl ester
(S)-Methyl lactate
(-)-Lactic acid methyl ester
Methyl L-lactate
Propanoic acid, 2-hydroxy-, methyl ester, (S)-
Lactic acid, methyl ester, L-
Propanoic acid, 2-hydroxy-, methyl ester, (2S)-
Methyl L-lactate
(-)-Methyl L-lactate
(S)-2-Hydroxypropionic acid methyl ester
Purasolv ML
Methyl (-)-(S)-lactate
(S)-2-Hydroxypropanoic acid methyl ester
Methyl (2S)-2-hydroxypropanoate
Identifiers:
SMILES:
COC(=O)[C@H](C)O
InChI:
InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 104.10499999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 104.047344116 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 46.53 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | -0.45980000000000015 | RDKit |
| molecular_mass | 104.10 g/mol | Legacy Database |
| cas-canonical-smile | O=C(OC)C(O)C None | Legacy Database |
| cas-inchi | InChI=1S/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3/t3-/m0/s1 None | Legacy Database |
| cas-inchi-key | InChIKey=LPEKGGXMPWTOCB-VKHMYHEASA-N None | Legacy Database |
| cas-name | (-)-Methyl lactate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 23.696799999999993 | RDKit |
