Sulfuretin
Structural formula
| Business number | 03BM |
|---|---|
| Molecular formula | C15H10O5 |
| Molecular weight | 270.24 |
| label |
2-(3,4-Dihydroxybenzylidene)-6-hydroxy-2H-benzofuran-3-one, (Z)-2-[(3,4-Dihydroxyphenyl)methylene]-6-hydroxy-2H-benzofuran-3-one, aliphatic compounds |
Numbering system
CAS number:120-05-8
MDL number:MFCD00017304
EINECS number:None
RTECS number:204-366-4
BRN number:None
PubChem ID:None
Physical property data
None
Toxicological data
None
Ecological data
None
Molecular structure data
5. Molecular property data:
1, Moore Refractive index: 71.83
2, Molar volume (m 3/mol):169.1
3、 Isotonic specific volume (90.2K) ：521.4
4, Surface Tension (dyne/cm):90.3
5、 Polarizability (10-24cm3):28.47
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.5
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 77
6. Topological molecule polar surface area 87
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 419
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: 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
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Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.5
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 5
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: 77
6. Topological molecule polar surface area 87
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 419
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: 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