structural formula
business number | 068k |
---|---|
molecular formula | c9h9no4 |
molecular weight | 195.17 |
label |
none yet |
numbering system
cas number:605-38-9
mdl number:none
einecs number:none
rtecs number:none
brn number:none
pubchem id:none
physical property data
physical property data:
1. melting point (℃):58-60
toxicological data
none yet
ecological data
3. ecological data:
1. other harmful effects: this substance may be harmful to the environment and should be harmful to water bodies. give special attention.
molecular structure data
5. molecular property data :
1, molar refractive index:47.89
2, molar volume (m3/mol):158.4
3, isotonic specific volume (90.2k ):411.1
4, surface tension (dyne/ cm): 45.3
5, polarizability (10-24cm3):18.98
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): 0.9
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 4
5. number of tautomers: none
6. topological molecule polar surface area 65.5
7. number of heavy atoms: 14
8. surface charge: 0
9. complexity: 229
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
properties and stability:
no decomposition products may occur under normal temperatures and pressures.
storage method
storage:
seal the secret container and store it in a sealed main container in a cool place dry position.
synthesis method
none yet
purpose
none yet