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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
Names and Synonyms:
Cyclopropane
Cyclopropane
Trimethylene
Trimethylene (cyclic)
RC 270
RC 0270
Identifiers:
SMILES:
C1CC1
InChI:
InChI=1S/C3H6/c1-2-3-1/h1-3H2
Key Properties
Boiling Point
-32.8 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-127.4 °C
CAS Common Chemistry
Density
1.14 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 42.08 g/mol | CAS Common Chemistry |
| 42.080999999999996 g/mol | RDKit | |
| 42.046950192 g/mol | RDKit | |
| Density | 1.14 g/cm³ | CAS Common Chemistry |
| 1.1358 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyclopropane | CAS Common Chemistry |
| Boiling Point | -32.8 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | C1CC1 | 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 |
| Molar Refractivity | 13.851000000000003 | RDKit |
Related Molecules
Other compounds with formula C3H6
