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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 Weight:
58.07999999999999 g/mol
Names and Synonyms:
Cyclopropanol
Common Name
Hydroxycyclopropane
Synonym
Cyclopropyl alcohol
Synonym
Cyclopropanol
Synonym
Identifiers:
SMILES:
OC1CC1
InChI:
InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 58.08 g/mol | Legacy Database |
| density | 9.91 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyclopropanol None | Legacy Database |
| cas-boiling-point | 100-103 °C None | Legacy Database |
| cas-canonical-smile | OC1CC1 None | Legacy Database |
| cas-density | 9.9110 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2 None | Legacy Database |
| cas-inchi-key | InChIKey=YOXHCYXIAVIFCZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 180 °C None | Legacy Database |
| cas-name | Cyclopropanol None | Legacy Database |
| wikipedia-name | Cyclopropanol None | Legacy Database |
| LogP | 0.1411 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 58.07999999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 58.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 15.240800000000002 | RDKit |