structural formula
| business number | 03lx |
|---|---|
| molecular formula | c19h15nao4 |
| molecular weight | 330.31 |
| label |
3-(3-oxo-1-phenylbutyl)-4-hydroxy-2h-1-benzopyrandione sodium salt and isopropyl alcohol, 3-(3-oxo-1-phenylbutyl)-4-hydroxy-2h-1-benzopyran-2-one sodium salt, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2h-1-benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)coumarin, reagents for immunological research |
numbering system
cas number:129-06-6
mdl number:mfcd00083223
einecs number:none
rtecs number:gn4725000
brn number:none
pubchem number:24890883
physical property data
none yet
toxicological data
none yet
ecological data
none yet
molecular structure data
none yet
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: 4
4. number of rotatable chemical bonds: 4
5. number of tautomers: 3
6. topological molecule polar surface area 66.4
7. number of heavy atoms: 24
8. surface charge: 0
9. complexity: 508
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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