Structural formula
Business number | 0273 |
---|---|
Molecular formula | C11H12O3 |
Molecular weight | 192.21 |
label |
Ethyl 3-oxophenylpropionate, Beta-oxophenylpropionate ethyl ester, Ethyl benzoyl acetate, benzylic acid ethyl acetate, Benzoylacetic acid ethyl ester, 3-Oxo-3-phenylpropionic acid ethyl ester, C6H5COCH2COOC2H5 |
Numbering system
CAS number:94-02-0
MDL number:MFCD00009196
EINECS number:202-295-3
RTECS number:AF4878000
BRN number:389944
PubChem number:24847926
Physical property data
Boiling point (ºC): 267.5d
Relative density (20℃, 4℃): 1.114
Refractive index at room temperature (n 20): 1.536816
Refractive index at room temperature (n25): 1.527317
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 51.95
2. Molar volume (cm3/mol): 173.9
3. Isotonic specific volume (90.2K ): 436.5
4. Surface tension (dyne/cm): 39.6
5. Polarizability (10-24cm3): 20.59
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 5
5. Number of tautomers: 3
6. Topological molecule polar surface area 43.4
7. Number of heavy atoms: 14
8. Surface charge: 0
9. Complexity: 205
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