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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 Weight:
134.178 g/mol
Names and Synonyms:
4-Indanol
1H-Inden-4-ol, 2,3-dihydro-
4-Indanol
2,3-Dihydro-1H-inden-4-ol
4-Hydroxyhydrindene
4-Hydroxyindan
NSC 64460
Identifiers:
SMILES:
Oc1cccc2c1CCC2
InChI:
InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 134.178 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 134.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.8809 | RDKit |
| molecular_mass | 134.18 g/mol | Legacy Database |
| cas-boiling-point | 245 °C None | Legacy Database |
| cas-canonical-smile | OC1=CC=CC2=C1CCC2 None | Legacy Database |
| cas-inchi | InChI=1S/C9H10O/c10-9-6-2-4-7-3-1-5-8(7)9/h2,4,6,10H,1,3,5H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DPHNJPUOMLRELT-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 47-51 °C None | Legacy Database |
| cas-name | 4-Indanol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 40.13180000000001 | RDKit |
