Structural formula
| Business number | 03CS |
|---|---|
| Molecular formula | C8H10O2 |
| Molecular weight | 138.16 |
| label |
Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 5-norbornene-2-carboxylic acid, 5-Norborn-2-carboxylic acid, 5-norbornene-2-carboxylic acid, Bicyclo[2.2.1]-5-heptene-2-carboxylic acid, Bicyclo(2.2.1)hept-2-ene-5-carboxylic acid, norbornenecarboxylic acid, TIMTEC-BB SBB008175, 5-norbornene-2-carboxylic acid, 8,9,10-trinorborna-5-ene-2-carboxylic acid, 5-norbornene-2-carboxylic acid, mixture of E, aromatic compounds |
Numbering system
CAS number:120-74-1
MDL number:MFCD00085356
EINECS number:204-422-8
RTECS number:None
BRN number:637167
PubChem number:24868278
Physical property data
1. Density:1.129
2. Refractive index:1.494
3. Flashpoint (℃):>110
4. Boiling point (ºC,14mmHg) ：136~138
5. Water-soluble：Slightly soluble in water
Toxicological data
1, acute toxicity: mouse peritoneal cavity LD50: 300mg/kg
small Mouse intravenous injectionLD50：105mg/kg
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 36.04
2. Molar volume（m3/ mol）：110.7
3. isotonic ratio（90.2K）：295.0
4. Surface Tension（dyne/cm）：50.3
5. 1, Molar refractive index:36.04
2. Molar volume（m3/ mol）：110.7
3. isotonic ratio（90.2K）：295.0
4. Surface Tension（dyne/cm）：50.3
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability14.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 195
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
“>Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability14.28
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 10
8. Surface charge: 0
9. Complexity: 195
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 3
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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