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