Back to Search
Molecule
(S)-3-Hydroxy-Γ-Butyrolactone
CAS: 7331-52-4 · C4H6O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7331-52-4
- Molecular Formula
- C4H6O3
- Molecular Mass
- 102.09 g/mol
Identifiers
CAS Registry Number
7331-52-4
SMILES
O=C1C[C@H](O)CO1
InChI Key
FUDDLSHBRSNCBV-VKHMYHEASA-N
InChI
InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1
Names and Synonyms
- (S)-3-Hydroxy-Γ-Butyrolactone Synonym
- 2(3H)-Furanone, dihydro-4-hydroxy-, (4S)- Synonym
- Butyric acid, 3,4-dihydroxy-, γ-lactone, D-glycero- Synonym
- 2(3H)-Furanone, dihydro-4-hydroxy-, (S)- Synonym
- (4S)-Dihydro-4-hydroxy-2(3H)-furanone Synonym
- (S)-3-Hydroxybutyrolactone Synonym
- (3S)-Hydroxy-γ-butyrolactone Synonym
- (S)-3-Hydroxy-γ-butyrolactone Synonym
- (S)-β-Hydroxy-γ-butyrolactone Synonym
- (S)-(-)-β-Hydroxy-γ-butyrolactone Synonym
- 3S-Hydroxy butyrolactone Synonym
- (4S)-4-Hydroxyoxolan-2-one Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.09 g/mol | CAS Common Chemistry |
| 102.089 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC(O)C1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O3/c5-3-1-4(6)7-2-3/h3,5H,1-2H2/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=FUDDLSHBRSNCBV-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (S)-3-Hydroxy-γ-butyrolactone | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 46.53 Ų | RDKit |
| LogP | -0.7058 | RDKit |
| Molar Refractivity | 21.582799999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 102.031694052 g/mol | RDKit |
| Boiling Point | 140 °C @ 1 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
Convert
Quick conversion
MW = 102.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O3.
