Back to Search
Molecule
Propanoic Acid, 2-Hydroxy-, Antimony(3+) Salt (3:1)
CAS: 58164-88-8 · C3H6O3Sb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 58164-88-8
- Molecular Formula
- C3H6O3Sb
- Molecular Mass
- 211.84 g/mol
Identifiers
CAS Registry Number
58164-88-8
SMILES
CC(O)C(=O)O.[Sb]
InChI Key
RXRQNBUYNYHRIF-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O3.Sb/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6);
Names and Synonyms
- Propanoic Acid, 2-Hydroxy-, Antimony(3+) Salt (3:1) Systematic Name
- Propanoic acid, 2-hydroxy-, antimony(3+) salt (3:1) Synonym
- Propanoic acid, 2-hydroxy-, trianhydride with antimonic acid (H3SbO3) Synonym
- Antimony lactate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 211.84 g/mol | CAS Common Chemistry |
| 211.838 g/mol | RDKit | |
| 214.862 g/mol | chempirical lib | |
| Canonical SMILES | [Sb].O=C(O)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O3.Sb/c1-2(4)3(5)6;/h2,4H,1H3,(H,5,6); | CAS Common Chemistry |
| InChI Key | InChIKey=RXRQNBUYNYHRIF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propanoic acid, 2-hydroxy-, antimony(3+) salt (3:1) | 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 | 210.935509752 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 211.84 g/mol. Edit any field — others recompute live.
