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Molecule
2-Indanol
CAS: 4254-29-9 · C9H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4254-29-9
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
4254-29-9
SMILES
OC1Cc2ccccc2C1
InChI Key
KMGCKSAIIHOKCX-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2
Names and Synonyms
- 2-Indanol Systematic Name
- 1H-Inden-2-ol, 2,3-dihydro- Synonym
- 2-Indanol Synonym
- 2,3-Dihydro-1H-inden-2-ol Synonym
- 2-Hydroxyindane Synonym
- NSC 17485 Synonym
- 2-Hydroxyhydrindene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.17799999999994 g/mol | RDKit | |
| 134.178 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.97095 g/cm3 @ 30 °C | CAS Common Chemistry | |
| Canonical SMILES | OC1CC=2C=CC=CC2C1 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4,9-10H,5-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=KMGCKSAIIHOKCX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 17 °C | CAS Common Chemistry |
| Name | 2-Indanol | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 1.1461 | RDKit |
| Molar Refractivity | 39.856800000000014 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 134.07316494 g/mol | RDKit |
| Boiling Point | 102 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 134.18 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
