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Molecule
5-Norbornen-2-Ol
CAS: 13080-90-5 · C7H10O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13080-90-5
- Molecular Formula
- C7H10O
- Molecular Mass
- 110.16 g/mol
Identifiers
CAS Registry Number
13080-90-5
SMILES
OC1CC2C=CC1C2
InChI Key
MKOSBHNWXFSHSW-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2
Names and Synonyms
- 5-Norbornen-2-Ol Systematic Name
- Bicyclo[2.2.1]hept-5-en-2-ol Synonym
- 5-Norbornen-2-ol Synonym
- 5-Hydroxybicyclo[2.2.1]hept-2-ene Synonym
- NSC 50234 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 110.16 g/mol | CAS Common Chemistry |
| 110.15599999999998 g/mol | RDKit | |
| 110.156 g/mol | RDKit | |
| Canonical SMILES | OC1CC2C=CC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MKOSBHNWXFSHSW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 105 °C | CAS Common Chemistry |
| Name | 5-Norbornen-2-ol | CAS Common Chemistry |
| Heavy Atom Count | 8 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | 0.9433 | RDKit |
| Molar Refractivity | 31.360799999999987 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 110.07316494 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 = 110.16 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10O.
