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Molecule
(R)-3-Hydroxybutyric Acid
CAS: 625-72-9 · C4H8O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 625-72-9
- Molecular Formula
- C4H8O3
- Molecular Mass
- 104.10 g/mol
Identifiers
CAS Registry Number
625-72-9
SMILES
C[C@@H](O)CC(=O)O
InChI Key
WHBMMWSBFZVSSR-GSVOUGTGSA-N
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
Names and Synonyms
- (R)-3-Hydroxybutyric Acid Synonym
- Butanoic acid, 3-hydroxy-, (3R)- Synonym
- Butyric acid, 3-hydroxy-, D-(-)- Synonym
- Butanoic acid, 3-hydroxy-, (R)- Synonym
- (3R)-3-Hydroxybutanoic acid Synonym
- D-β-Hydroxybutyrate Synonym
- (-)-3-Hydroxybutyric acid Synonym
- D-β-Hydroxybutyric acid Synonym
- D-(-)-3-Hydroxybutyric acid Synonym
- D-(-)-3-Hydroxybutyrate Synonym
- D-(-)-β-Hydroxybutyric acid Synonym
- D-(-)-3-Hydroxybutanoic acid Synonym
- (R)-β-Hydroxybutanoic acid Synonym
- 3-D-Hydroxybutyrate Synonym
- D-3-Hydroxybutyrate Synonym
- (R)-3-Hydroxybutyrate Synonym
- (3R)-Hydroxybutyrate Synonym
- (R)-(-)-β-Hydroxybutyric acid Synonym
- (R)-(-)-3-Hydroxybutyric acid Synonym
- D-3-Hydroxybutyric acid Synonym
- (-)-3-Hydroxy-n-butyric acid Synonym
- (R)-β-Hydroxybutyric acid Synonym
- (R)-3-Hydroxybutanoic acid Synonym
- (R)-3-Hydroxybutyric acid Synonym
- (3R)-3-Hydroxybutyric acid Synonym
- 3R-Hydroxybutanoic acid Synonym
- (R)-3-Hydroxybutyric acid Synonym
- (3R)-3-Hydroxybutanoic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.10 g/mol | CAS Common Chemistry |
| 104.10499999999999 g/mol | RDKit | |
| 104.105 g/mol | RDKit | |
| Canonical SMILES | O=C(O)CC(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WHBMMWSBFZVSSR-GSVOUGTGSA-N | CAS Common Chemistry |
| Name | (R)-3-Hydroxybutyric acid | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | -0.15809999999999996 | RDKit |
| -0.1581 | RDKit | |
| Molar Refractivity | 23.933599999999995 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 104.047344116 g/mol | RDKit |
| Boiling Point | 90-92 °C @ 0.08 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 104.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O3.
