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2-Methylindene
CAS: 2177-47-1 | C10H10
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2177-47-1
Molecular Formula:
C10H10
Molecular Weight:
130.18999999999997 g/mol
Names and Synonyms:
2-Methylindene
1H-Indene, 2-methyl-
Indene, 2-methyl-
2-Methyl-1H-indene
2-Methylindene
Identifiers:
SMILES:
CC1=Cc2ccccc2C1
InChI:
InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 130.19 g/mol | Legacy Database |
| density | 0.97 g/cm³ | Legacy Database |
| cas-boiling-point | 208 °C None | Legacy Database |
| cas-canonical-smile | C=1C=CC2=C(C1)C=C(C)C2 None | Legacy Database |
| cas-density | 0.9734 g/cm3 @ Temp: 19 °C None | Legacy Database |
| cas-inchi | InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YSAXEHWHSLANOM-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 80 °C None | Legacy Database |
| cas-name | 2-Methylindene None | Legacy Database |
| LogP | 2.646000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 130.18999999999997 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 130.07825032 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 | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 43.797000000000025 | RDKit |
