Structural formula
| Business number | 03NJ |
|---|---|
| Molecular formula | C17H12O3 |
| Molecular weight | 264.28 |
| label |
1-Hydroxy-2-naphthoic acid phenyl ester, 1-Hydroxy-2-phenyl naphthoate, aromatic compounds |
Numbering system
CAS number:132-54-7
MDL number:MFCD00014310
EINECS number:205-065-0
RTECS number:None
BRN number:2217072
PubChem number:24864125
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
5. Molecular property data: 1、 Molar refractive index:77.62 2、 Molar volume(m3/mol): 205.3 3、 Isotonic specific volume（90.2K）：563.5 4、 Surface tension(3.0 dyne/cm):56.6 5、 Polarizability0.5 10-24 cm3):30.77
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 335
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
White powder. Soluble in acetone, insoluble in methanol, insoluble in water.
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
�Chemical Data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: 3
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 335
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
White powder. Soluble in acetone, insoluble in methanol, insoluble in water.
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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