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
t; color: #304e00; font-family: 宋体; mso-font-kerning: 0pt; mso-ascii-font-family: arial; mso-hansi-font-family: arial; mso-bidi-font-family: arial “>): 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
微信扫一扫打赏
