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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 Weight:
42.080999999999996 g/mol
Names and Synonyms:
Cyclopropane
RC 0270
RC 270
Trimethylene (cyclic)
Trimethylene
Cyclopropane
Identifiers:
SMILES:
C1CC1
InChI:
InChI=1S/C3H6/c1-2-3-1/h1-3H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 42.08 g/mol | Legacy Database |
| density | 1.14 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyclopropane | Legacy Database | |
| cas-boiling-point | -32.8 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | C1CC1 | Legacy Database | |
| cas-density | 1.1358 g/cm3 @ Temp: 20 °C | Legacy Database | |
| cas-inchi | InChI=1S/C3H6/c1-2-3-1/h1-3H2 | Legacy Database | |
| cas-inchi-key | InChIKey=LVZWSLJZHVFIQJ-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -127.4 °C | Legacy Database | |
| cas-name | Cyclopropane | Legacy Database | |
| wikipedia-name | Cyclopropane | Legacy Database | |
| LogP | 1.1703 | RDKit | |
| Molecular | Molecular Weight | 42.080999999999996 g/mol | RDKit |
| Exact | Exact Molecular Weight | 42.046950192 g/mol | RDKit |
| Heavy | Heavy Atom Count | 3 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 0 count | RDKit |
| Topological | Topological Polar Surface Area | 0.0 Ų | RDKit |
| Molar | Molar Refractivity | 13.851000000000003 | RDKit |
