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Molecule
5-Indanol
CAS: 1470-94-6 · C9H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1470-94-6
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
1470-94-6
SMILES
Oc1ccc2c(c1)CCC2
InChI Key
PEHSSTUGJUBZBI-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
Names and Synonyms
- 5-Indanol Systematic Name
- 1H-Inden-5-ol, 2,3-dihydro- Synonym
- 5-Indanol Synonym
- 2,3-Dihydro-1H-inden-5-ol Synonym
- 5-Hydroxyhydrindene Synonym
- 5-Hydroxyindan Synonym
- 5-Hydroxyindane Synonym
- NSC 9775 Synonym
- Indan-6-ol Synonym
- 2,3-Dihydroinden-5-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.18 g/mol | CAS Common Chemistry |
| 134.178 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0062 g/cm3 @ 20.3 °C | CAS Common Chemistry | |
| Boiling Point | 253 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=C2C(=C1)CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=PEHSSTUGJUBZBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 58 °C | CAS Common Chemistry |
| Name | 5-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 | 1.8808999999999998 | RDKit |
| 1.8809 | RDKit | |
| 1.9 | chempirical lib | |
| Molar Refractivity | 40.13180000000001 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 |
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 = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
