Structural formula
| Business number | 03FL |
|---|---|
| Molecular formula | C12H15NO3 |
| Molecular weight | 221.25 |
| label |
4-Ethoxyacetoacetanilide, N-(p-ethoxyphenyl)acetoacetanilide, p-Ethoxyacetoacetanilide, aromatic compounds |
Numbering system
CAS number:122-82-7
MDL number:MFCD00043937
EINECS number:204-577-1
RTECS number:AK5800000
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
1, acute toxicity: rat oral LD50: 176mg/kg
Ecological data
None yet
Molecular structure data
1, Molar refractive index:61.13
2、 Molar volume (m3/mol): 193.1
3, Isotonic specific volume (90.2K): 492.1
4, Surface Tension (dyne/cm): 42.1
5、 Polarizability (10-24cm3):24.23
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 8
6. Topological molecule polar surface area 55.4
7. Number of heavy atoms: 16
8. Surface charge: 0
9. Complexity: 245
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 yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
6. Topological molecule polar surface area 55.4
7. Number of heavy atoms: 16
8. Surface charge: 0
9 .Complexity: 245
10. Number of isotope atoms: 0
11. Determined number of atomic stereocenters: 0
12. Uncertain atomic configuration Number of centers: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Covalent Number of key units: 1
Properties and stability
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
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