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Molecule
4-Indanol
CAS: 1641-41-4 · C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1641-41-4
- Molecular Formula
- C9H10O
- Molecular Mass
- 134.18 g/mol
Identifiers
CAS Registry Number
1641-41-4
SMILES
Oc1cccc2c1CCC2
InChI Key
DPHNJPUOMLRELT-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2
Names and Synonyms
- 4-Indanol Synonym
- 1H-Inden-4-ol, 2,3-dihydro- Synonym
- 4-Indanol Synonym
- 2,3-Dihydro-1H-inden-4-ol Synonym
- 4-Hydroxyhydrindene Synonym
- 4-Hydroxyindan Synonym
- NSC 64460 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 | |
| Boiling Point | 245 °C | CAS Common Chemistry |
| Canonical SMILES | OC1=CC=CC2=C1CCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=DPHNJPUOMLRELT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 47-51 °C | CAS Common Chemistry |
| Name | 4-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 | 1.8809 | 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. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H10O.
