structural formula
| business number | 03ln |
|---|---|
| molecular formula | c22h23no7 |
| molecular weight | 413.42 |
| label |
aromatic compounds |
numbering system
cas number:128-62-1
mdl number:mfcd00069316
einecs number:204-899-2
rtecs number:rd2625000
brn number:none
pubchem number:24862408
physical property data
none
toxicological data
, acute toxicity: rat oral ld5o: 1520mg/kg
mice orally ld5o: 853mg/kg
mouse transperitoneal ld5o: 960mg/kg
mouse subcutaneously ld5o: 725mg/kg
mouse intravenously ld5o: 83mg/kg
dog meridian veinldlo：73200ug/kg
2, mutagenicity: hamster lung cytogenetic analysis test system: 100mg/l
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 106.49
2. molar volume (m3/mol）：310.2
3. isotonic specific volume (90.2k):826.5
4. surface tension (dyne/cm):50.4
5. polarizability（10-24cm3):42.21
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 8
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 75.7
7. number of heavy atoms: 30
8. surface charge: 0
9. complexity: 647
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 2
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
: ‘times new roman'”>（10-24cm 3):42.21
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 2.7
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 8
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 75.7
7. number of heavy atoms: 30
8. surface charge: 0
9. complexity: 647
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 2
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
