Back to Search
5-Norbornene-2,3-Dimethanol
CAS: 85-39-2 | C9H14O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
85-39-2
Molecular Formula:
C9H14O2
Molecular Mass:
154.21 g/mol
Names and Synonyms:
5-Norbornene-2,3-Dimethanol
Bicyclo[2.2.1]hept-5-ene-2,3-dimethanol
5-Norbornene-2,3-dimethanol
2,3-Bis(hydroxymethyl)-5-norbornene
5,6-Bis(hydroxymethyl)bicyclo[2.2.1]hept-2-ene
NSC 31985
5,6-Di(hydroxymethyl)bicyclo[2.2.1]hept-2-ene
Bicyclo[2.2.1]hept-5-ene-2,3-dimethylol
[3-(Hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-yl]methanol
[3-(Hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
Identifiers:
SMILES:
OCC1C2C=CC(C2)C1CO
InChI:
InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2
Key Properties
Boiling Point
144-162 °C @ Press: 6.5 Torr
CAS Common Chemistry
Melting Point
82.8-83.4 °C
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 | 154.21 g/mol | CAS Common Chemistry |
| 154.20899999999997 g/mol | RDKit | |
| 154.099379688 g/mol | RDKit | |
| Boiling Point | 144-162 °C @ Press: 6.5 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC1C2C=CC(C2)C1CO | CAS Common Chemistry |
| InChI | InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IGHHPVIMEQGKNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 82.8-83.4 °C | CAS Common Chemistry |
| Name | 5-Norbornene-2,3-dimethanol | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 0.40930000000000005 | RDKit |
| Molar Refractivity | 41.88860000000002 | RDKit |
