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
