4-Methoxy-3-nitrobenzoic acid
Structural formula
| Business number | 020R |
|---|---|
| Molecular formula | C8H7NO5 |
| Molecular weight | 197.14 |
| label |
3-nitro-4-methoxybenzoic acid, 3-Nitro-4-Methoxybenzoic acid, CH3OC6H3(NO2)CO2H |
Numbering system
CAS number:89-41-8
MDL number:MFCD00007256
EINECS number:201-906-0
RTECS number:None
BRN number:2115073
PubChem number:24851734
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 46.40
2. Molar volume (cm3/mol): 137.8
3. Isotonic specific volume (90.2K ): 381.5
4. Surface tension (dyne/cm): 58.7
5. Polarizability (10-24cm3): 18.39
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 92.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 236
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Storage method
None
Synthesis method
None
Purpose
None