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Molecule
(4S)-4-Methyl-1,3-Dioxolan-2-One
CAS: 51260-39-0 · C4H6O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 51260-39-0
- Molecular Formula
- C4H6O3
- Molecular Mass
- 102.09 g/mol
Identifiers
CAS Registry Number
51260-39-0
SMILES
C[C@H]1COC(=O)O1
InChI Key
RUOJZAUFBMNUDX-VKHMYHEASA-N
InChI
InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1
Names and Synonyms
- (4S)-4-Methyl-1,3-Dioxolan-2-One Systematic Name
- 1,3-Dioxolan-2-one, 4-methyl-, (4S)- Synonym
- 1,3-Dioxolan-2-one, 4-methyl-, (S)- Synonym
- (4S)-4-Methyl-1,3-dioxolan-2-one Synonym
- (S)-Propylene carbonate Synonym
- (-)-1-Methyl-2,4-dioxolan-3-one Synonym
- (S)-(-)-1,2-Propylene carbonate Synonym
- (-)-(4S)-4-Methyl-1,3-dioxolan-2-one Synonym
- (S)-4-Methyl-1,3-dioxolan-2-one Synonym
- (4S)-4-Methyl-1,3-dioxolan-2-one Synonym
- (S)-(-)-Propylene carbonate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.09 g/mol | CAS Common Chemistry |
| 102.08899999999998 g/mol | RDKit | |
| 102.089 g/mol | RDKit | |
| Canonical SMILES | O=C1OCC(O1)C | CAS Common Chemistry |
| InChI | InChI=1S/C4H6O3/c1-3-2-6-4(5)7-3/h3H,2H2,1H3/t3-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RUOJZAUFBMNUDX-VKHMYHEASA-N | CAS Common Chemistry |
| Name | (4S)-4-Methyl-1,3-dioxolan-2-one | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 0.5417000000000001 | RDKit |
| 0.5417 | RDKit | |
| Molar Refractivity | 21.89499999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 102.031694052 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| 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 = 102.09 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H6O3.
