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Molecule
Propanoic Acid, 2-Hydroxy-, 1,1′-Anhydride
CAS: 97-73-4 · C6H10O5
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 97-73-4
- Molecular Formula
- C6H10O5
- Molecular Mass
- 162.14 g/mol
Identifiers
CAS Registry Number
97-73-4
SMILES
CC(O)C(=O)OC(=O)C(C)O
InChI Key
AURKDQJEOYBJSQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O5/c1-3(7)5(9)11-6(10)4(2)8/h3-4,7-8H,1-2H3
Names and Synonyms
- Propanoic Acid, 2-Hydroxy-, 1,1′-Anhydride Systematic Name
- Propanoic acid, 2-hydroxy-, 1,1′-anhydride Synonym
- Lactic anhydride Synonym
- Propanoic acid, 2-hydroxy-, anhydride Synonym
- 2-Hydroxypropanoic anhydride Synonym
- Lactic acid anhydride Synonym
- 2-Hydroxypropanoyl 2-hydroxypropanoate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.14 g/mol | CAS Common Chemistry |
| 162.141 g/mol | RDKit | |
| Canonical SMILES | O=C(OC(=O)C(O)C)C(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H10O5/c1-3(7)5(9)11-6(10)4(2)8/h3-4,7-8H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=AURKDQJEOYBJSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Propanoic acid, 2-hydroxy-, 1,1′-anhydride | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 83.83 Ų | RDKit |
| LogP | -1.1822000000000004 | RDKit |
| -1.1822 | RDKit | |
| Molar Refractivity | 34.46059999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 162.05282342 g/mol | RDKit |
| Boiling Point | 125-128 °C @ 33 Torr | CAS Common Chemistry |
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
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MW = 162.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H10O5.
