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Molecule
Lithium Lactate
CAS: 867-55-0 · C3H6LiO3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 867-55-0
- Molecular Formula
- C3H6LiO3
- Molecular Mass
- 97.02 g/mol
Identifiers
CAS Registry Number
867-55-0
SMILES
CC(O)C(=O)O.[Li]
InChI Key
MCPIIUKZBQXOSD-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);
Names and Synonyms
- Lithium Lactate Common Name
- Propanoic acid, 2-hydroxy-, lithium salt (1:1) Synonym
- Lactic acid, monolithium salt Synonym
- Lithium lactate Synonym
- Propanoic acid, 2-hydroxy-, monolithium salt Synonym
- Lithium α-hydroxypropionate Synonym
- Lithium 2-hydroxypropionate Synonym
- Lithium DL-lactate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 97.02 g/mol | CAS Common Chemistry |
| 97.04769860200001 g/mol | RDKit | |
| 97.019 g/mol | RDKit | |
| 98.027 g/mol | chempirical lib | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0127 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lithium_lactate | CAS Common Chemistry |
| Canonical SMILES | [Li].O=C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3.Li/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=MCPIIUKZBQXOSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Lithium lactate | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.929 | RDKit |
| Molar Refractivity | 25.070599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 97.01899999999999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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Quick conversion
MW = 97.02 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6LiO3.
