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
