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5-Norbornen-2-Ol
CAS: 13080-90-5 | C7H10O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13080-90-5
Molecular Formula:
C7H10O
Molecular Weight:
110.15599999999998 g/mol
Names and Synonyms:
5-Norbornen-2-Ol
NSC 50234
5-Hydroxybicyclo[2.2.1]hept-2-ene
5-Norbornen-2-ol
Bicyclo[2.2.1]hept-5-en-2-ol
Identifiers:
SMILES:
OC1CC2C=CC1C2
InChI:
InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 110.16 g/mol | Legacy Database |
| cas-canonical-smile | OC1CC2C=CC1C2 None | Legacy Database |
| cas-inchi | InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=MKOSBHNWXFSHSW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 105 °C None | Legacy Database |
| cas-name | 5-Norbornen-2-ol None | Legacy Database |
| LogP | 0.9433 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 110.15599999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 110.07316494 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 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 | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.360799999999987 | RDKit |
