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Molecule
5-Norbornene-2-Carboxylic Acid
CAS: 120-74-1 · C8H10O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 120-74-1
- Molecular Formula
- C8H10O2
- Molecular Mass
- 138.17 g/mol
Identifiers
CAS Registry Number
120-74-1
SMILES
O=C(O)C1CC2C=CC1C2
InChI Key
FYGUSUBEMUKACF-UHFFFAOYSA-N
InChI
InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10)
Names and Synonyms
- 5-Norbornene-2-Carboxylic Acid Synonym
- Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid Synonym
- 5-Norbornene-2-carboxylic acid Synonym
- Norbornenecarboxylic acid Synonym
- Bicyclo[2.2.1]hept-2-ene-5-carboxylic acid Synonym
- 2-Norbornene-5-carboxylic acid Synonym
- NSC 152348 Synonym
- 5-Norbornene-exo-2-carboxylic acid Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.17 g/mol | CAS Common Chemistry |
| 138.16599999999997 g/mol | RDKit | |
| 138.166 g/mol | RDKit | |
| Density | 1.12 g/cm³ | CAS Common Chemistry |
| 1.12 g/cm3 @ 42 °C | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C1CC2C=CC1C2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O2/c9-8(10)7-4-5-1-2-6(7)3-5/h1-2,5-7H,3-4H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=FYGUSUBEMUKACF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 32.5-35 °C | CAS Common Chemistry |
| Name | 5-Norbornene-2-carboxylic acid | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 1.2832000000000001 | RDKit |
| 1.2832 | RDKit | |
| Molar Refractivity | 36.479800000000004 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.625 | RDKit |
| 0.62 | chempirical lib | |
| Exact Mass | 138.06807956 g/mol | RDKit |
| Boiling Point | 132-134 °C @ 22 Torr | CAS Common Chemistry |
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 = 138.17 g/mol; density = 1.120 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H10O2.
