3-methyl-1-(3′-phenylaminosulfonate)-5-pyrazolinone
structural formula
| business number | 020k |
|---|---|
| molecular formula | c10h11n3o3s |
| molecular weight | 253.28 |
| label |
3-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-benzenesulfonamide, 3-(4,5-dihydro-3-methyl-5-oxo-1h-pyrazol-1-yl)-benzenesulfonamide |
numbering system
cas number:89-29-2
mdl number:mfcd00035707
einecs number:201-895-2
rtecs number:none
brn number:none
pubchem number:24880066
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 62.87
2. molar volume (cm3/mol): 165.6
3. isotonic specific volume (90.2k ): 471.1
4. surface tension (dyne/cm): 65.5
5. polarizability (10-24cm3): 24.92
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): -0.2
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 2
5. number of tautomers: 3
6. topological molecule polar surface area 101
7. number of heavy atoms: 17
8. surface charge: 0
9. complexity: 452
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
storage method
none
synthesis method
none
purpose
none
