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Propadiene
CAS: 463-49-0 | C3H4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
463-49-0
Molecular Formula:
C3H4
Molecular Weight:
40.06499999999999 g/mol
Names and Synonyms:
Propadiene
Bis(methylene)methane
Dimethylenemethane
sym-Allylene
Allene
Propadiene
1,2-Propadiene
Identifiers:
SMILES:
C=C=C
InChI:
InChI=1S/C3H4/c1-3-2/h1-2H2
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 |
|---|---|---|---|
| Molecular | Molecular Weight | 40.06499999999999 g/mol | RDKit |
| Exact | Exact Molecular Weight | 40.031300128 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 |
| Physical Properties | LogP | 0.9572999999999999 | RDKit |
| wikipedia-name | Propadiene | Legacy Database | |
| molecular_mass | 40.07 g/mol | Legacy Database | |
| density | 1.79 g/cm³ | Legacy Database | |
| wikipedia_url | https://en.wikipedia.org/wiki/Propadiene | Legacy Database | |
| cas-boiling-point | -34.5 °C @ Press: 760 Torr | Legacy Database | |
| cas-canonical-smile | C(=C)=C | Legacy Database | |
| cas-density | 1.787 g/cm3 | Legacy Database | |
| cas-inchi | InChI=1S/C3H4/c1-3-2/h1-2H2 | Legacy Database | |
| cas-inchi-key | InChIKey=IYABWNGZIDDRAK-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | -136 °C | Legacy Database | |
| cas-name | Allene | Legacy Database | |
| Molar | Molar Refractivity | 14.767000000000001 | RDKit |
