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Cyclopropane
CAS: 75-19-4 | C3H6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 75-19-4
- Molecular Formula
- C3H6
- Molecular Mass
- 42.08 g/mol
Identifiers
CAS Registry Number
75-19-4
SMILES
C1CC1
InChI Key
LVZWSLJZHVFIQJ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6/c1-2-3-1/h1-3H2
Names and Synonyms
- Cyclopropane Common Name
- Cyclopropane Synonym
- Trimethylene Synonym
- Trimethylene (cyclic) Synonym
- RC 270 Synonym
- RC 0270 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | C1CC1 | CAS Common Chemistry |
| Molecular Mass | 42.08 g/mol | CAS Common Chemistry |
| 42.080999999999996 g/mol | RDKit | |
| 42.081 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.1358 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclopropane | CAS Common Chemistry |
| InChI | InChI=1S/C3H6/c1-2-3-1/h1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -127.4 °C | CAS Common Chemistry |
| Name | Cyclopropane | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.1703 | RDKit |
| 1.17 | chempirical lib | |
| Molar Refractivity | 13.851000000000003 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 42.046950192 g/mol | RDKit |
| Boiling Point | -32.8 °C @ 760 Torr | CAS Common Chemistry |
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
Related
Related molecules
Other compounds with formula C3H6.
