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Dicyclopentadiene
CAS: 77-73-6 | C10H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
77-73-6
Molecular Formula:
C10H12
Molecular Weight:
132.20599999999996 g/mol
Names and Synonyms:
Dicyclopentadiene
4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-
4,7-Methanoindene, 3a,4,7,7a-tetrahydro-
3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene
Bicyclopentadiene
Biscyclopentadiene
3a,4,7,7a-Tetrahydro-4,7-methanoindene
Dicyclopentadiene
Cyclopentadiene dimer
Tricyclo[5.2.1.02,6]deca-3,8-diene
NSC 7352
DCPD 103
Tricyclo[4.3.1.02,5]deca-3,7-diene
Prometa XP 100
Ultrene
Tricyclodecadiene
DCPD
Ultrene 99
Ultrene DCPD
Tricyclo[4.3.0.12,5]deca-3,7-diene
3a,4,7,7a-Tetrahydro-4,7-methanoindene
Ultrene 97
Ultrene 99X
Ultrene 99-6
Identifiers:
SMILES:
C1=CC2C3C=CC(C3)C2C1
InChI:
InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 132.20599999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 132.093900384 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 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 | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.3846000000000007 | RDKit |
| molecular_mass | 132.21 g/mol | Legacy Database |
| density | 0.93 g/cm³ | Legacy Database |
| cas-boiling-point | 64-65 °C @ Press: 14 Torr None | Legacy Database |
| cas-canonical-smile | C1=CC2C3C=CC(C3)C2C1 None | Legacy Database |
| cas-density | 0.9302 g/cm3 @ Temp: 35 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H12/c1-2-9-7-4-5-8(6-7)10(9)3-1/h1-2,4-5,7-10H,3,6H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HECLRDQVFMWTQS-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 32 °C None | Legacy Database |
| cas-name | Dicyclopentadiene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 41.47400000000001 | RDKit |
