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
