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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 Mass:
130.19 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
Key Properties
Boiling Point
208 °C
CAS Common Chemistry
Melting Point
80 °C
CAS Common Chemistry
Density
0.97 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 | 130.19 g/mol | CAS Common Chemistry |
| 130.18999999999997 g/mol | RDKit | |
| 130.07825032 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.9734 g/cm3 @ Temp: 19 °C | CAS Common Chemistry | |
| Boiling Point | 208 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC2=C(C1)C=C(C)C2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10/c1-8-6-9-4-2-3-5-10(9)7-8/h2-6H,7H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YSAXEHWHSLANOM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 80 °C | CAS Common Chemistry |
| Name | 2-Methylindene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.646000000000001 | RDKit |
| Molar Refractivity | 43.797000000000025 | RDKit |
