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5-Indanol
CAS: 1470-94-6 | C9H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1470-94-6
Molecular Formula:
C9H10O
Molecular Mass:
134.18 g/mol
Names and Synonyms:
5-Indanol
1H-Inden-5-ol, 2,3-dihydro-
5-Indanol
2,3-Dihydro-1H-inden-5-ol
5-Hydroxyhydrindene
5-Hydroxyindan
5-Hydroxyindane
NSC 9775
Indan-6-ol
2,3-Dihydroinden-5-ol
Identifiers:
SMILES:
Oc1ccc2c(c1)CCC2
InChI:
InChI=1S/C9H10O/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6,10H,1-3H2
Key Properties
Boiling Point
253 °C
CAS Common Chemistry
Melting Point
58 °C
CAS Common Chemistry
Density
1.01 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 | 134.18 g/mol | CAS Common Chemistry |
| 134.178 g/mol | RDKit | |
| 134.07316494 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.0062 g/cm3 @ Temp: 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 |
| Molar Refractivity | 40.13180000000001 | RDKit |
