Structural formula
Business number | 0271 |
---|---|
Molecular formula | C12H9NO2 |
Molecular weight | 199.21 |
label |
Phenyl 4-pyridinecarboxylate |
Numbering system
CAS number:94-00-8
MDL number:None
EINECS number:None
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
None yet
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 55.98
2. Molar volume (cm3/mol): 166.0
3. Isotonic specific volume (90.2K ): 438.8 ±
4. Surface tension (dyne/cm): 48.7
5. Polarizability (10-24cm3): 22.19
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: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 39.2
7. Number of heavy atoms: 15
8. Surface charge: 0
9. Complexity: 206
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