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
