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Molecule
Cyclopropanol
CAS: 16545-68-9 · C3H6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16545-68-9
- Molecular Formula
- C3H6O
- Molecular Mass
- 58.08 g/mol
Identifiers
CAS Registry Number
16545-68-9
SMILES
OC1CC1
InChI Key
YOXHCYXIAVIFCZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2
Names and Synonyms
- Cyclopropanol Common Name
- Cyclopropanol Synonym
- Cyclopropyl alcohol Synonym
- Hydroxycyclopropane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 58.08 g/mol | CAS Common Chemistry |
| 58.07999999999999 g/mol | RDKit | |
| Density | 9.91 g/cm³ | CAS Common Chemistry |
| 9.9110 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclopropanol | CAS Common Chemistry |
| Boiling Point | 100-103 °C | CAS Common Chemistry |
| Canonical SMILES | OC1CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=YOXHCYXIAVIFCZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 180 °C | CAS Common Chemistry |
| Name | Cyclopropanol | CAS Common Chemistry |
| Heavy Atom Count | 4 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.1411 | RDKit |
| Molar Refractivity | 15.240800000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 58.041864812 g/mol | RDKit |
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 = 58.08 g/mol; density = 9.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O.
