3,5-dihydroxy-2-naphthoic acid
structural formula
| business number | 020n |
|---|---|
| molecular formula | c11h8o4 |
| molecular weight | 204.18 |
| label |
3,5-dihydroxy-2-naphthalenecarboxylic acid, (ho)2c10h5co2h |
numbering system
cas number:89-35-0
mdl number:mfcd00003982
einecs number:201-900-8
rtecs number:none
brn number:3287771
pubchem number:24856640
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 54.78
2. molar volume (cm3/mol): 132.9
3. isotonic specific volume (90.2k ): 403.2
4. surface tension (dyne/cm): 84.6
5. polarizability (10-24cm3): 21.71
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.5
2. number of hydrogen bond donors: 3
3. number of hydrogen bond acceptors: 4
4. number of rotatable chemical bonds: 1
5. number of tautomers: 17
6. topological molecule polar surface area 77.8
7. number of heavy atoms: 15
8. surface charge: 0
9. complexity: 253
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
