1,3-dihydroxynaphthalene
structural formula
| business number | 03ns |
|---|---|
| molecular formula | c10h8o2 |
| molecular weight | 160.17 |
| label |
1,3-naphthalenediol, naphthoresorbinol, aromatic compounds |
numbering system
cas number:132-86-5
mdl number:mfcd00003965
einecs number:205-079-7
rtecs number:qj4725000
brn number:2044002
pubchem number:24897775
physical property data
none yet
toxicological data
mutagenicity data:
bacteria–salmonella typhimurium: 250umol/l
bacteria–salmonella typhimurium: 625nmol/plate
ecological data
none yet
molecular structure data
5. molecular property data:
1、 molar refractive index：47.85
2、 molar volume(m3/mol) ：120.4
3、 isotonic specific volume（90.2k）：341.1
4、 surface tension(3.0 dyne/cm):64.4
5、 polarizability0.5 10-24 cm3):18.97
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 15
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 158
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
basic properties
pink to yellow leaf-like crystals. melting point 124-125℃, easily soluble in water, alcohol and ether.
storage method
none yet
synthesis method
brief description of production methods
decarboxylated from 1,3-dihydroxy-2-naphthoic acid
purpose
purpose
sugar and oil reagent for measuring glucuronic acid in urine.
t-font-family: arial; mso-font-kerning: 0pt”>(0.5 10 -24cm3):18.97
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 2
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 0
5. number of tautomers: 15
6. topological molecule polar surface area 40.5
7. number of heavy atoms: 12
8. surface charge: 0
9. complexity: 158
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
basic properties
pink to yellow leaf-like crystals. melting point 124-125℃, easily soluble in water, alcohol and ether.
storage method
none yet
synthesis method
brief description of production methods
decarboxylated from 1,3-dihydroxy-2-naphthoic acid
purpose
purpose
sugar and oil reagent for measuring glucuronic acid in urine.
