α-Phenylstyreneic acid
Structural formula
| Business number | 023J |
|---|---|
| Molecular formula | C15H12O2 |
| Molecular weight | 224.25 |
| label |
α-Phenylcinnamic acid, ɑ-Phenylcinnamic acid, C6H5CH=C(C6H5)CO2H |
Numbering system
CAS number:91-48-5
MDL number:MFCD00004252
EINECS number:202-069-4
RTECS number:None
BRN number:1911342
PubChem number:24898288
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 68.48
2. Molar volume (cm3/mol): 187.1
3. Isotonic specific volume (90.2K ): 503.8
4. Surface tension (dyne/cm): 52.5
5. Polarizability (10-24cm3): 27.15
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 3.5
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 3
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 37.3
7. Number of heavy atoms: 17
8. Surface charge: 0
9. Complexity: 281
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 Number: 1
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
None
Storage method
None
Synthesis method
None
Purpose
None
