BDMAEE

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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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): 267.5^d

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