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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