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Molecule
R-(-)-1,2-Propanediol
CAS: 4254-14-2 · C3H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4254-14-2
- Molecular Formula
- C3H8O2
- Molecular Mass
- 76.10 g/mol
Identifiers
CAS Registry Number
4254-14-2
SMILES
C[C@@H](O)CO
InChI Key
DNIAPMSPPWPWGF-GSVOUGTGSA-N
InChI
InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1
Names and Synonyms
- R-(-)-1,2-Propanediol Synonym
- 1,2-Propanediol, (R)- Synonym
- 1,2-Propanediol, (R)-(-)- Synonym
- (-)-Propylene glycol Synonym
- 1-Deoxy-sn-glycerol Synonym
- R-(-)-Propylene glycol Synonym
- D-(-)-Propanediol Synonym
- (-)-1,2-Propanediol Synonym
- (R)-1,2-Propanediol Synonym
- R-(-)-1,2-Propanediol Synonym
- (R)-2-Hydroxy-1-propanol Synonym
- (R)-Propylene glycol Synonym
- NSC 90793 Synonym
- (2R)-1,2-Propanediol Synonym
- 1,2-Propanediol, (2R)- Synonym
- 1,2-Propanediol, (R)- Synonym
- (R)-(-)-1,2-Propanediol Synonym
- (2R)-Propane-1,2-diol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 76.10 g/mol | CAS Common Chemistry |
| 76.095 g/mol | RDKit | |
| Canonical SMILES | OCC(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3/t3-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=DNIAPMSPPWPWGF-GSVOUGTGSA-N | CAS Common Chemistry |
| Name | R-(-)-1,2-Propanediol | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | -0.6405000000000001 | RDKit |
| -0.6405 | RDKit | |
| Molar Refractivity | 18.7666 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 76.052429496 g/mol | RDKit |
| Boiling Point | 85-86 °C @ 10 Torr | CAS Common Chemistry |
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
80
60
40
20
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.
External Resources
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MW = 76.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8O2.
