Structural formula
| Business number | 0395 |
|---|---|
| Molecular formula | C14H9NO3 |
| Molecular weight | 239.23 |
| label |
anthracene compounds, aromatic compounds |
Numbering system
CAS number:117-77-1
MDL number:MFCD00059499
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1、 Moore Refractive index: 64.78
2、 Molar volume (m3 /mol):159.7
3、 Isotonic specific volume (90.2K) ：478.0
4、 Surface Tension (dyne/cm):80.1
5、 Polarizability (10-24cm3):25.68
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 13
6. Topological molecule polar surface area 80.4
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 381
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
��：25.68
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 13
6. Topological molecule polar surface area 80.4
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 381
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
