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
