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
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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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