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