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865541-38-4 | 1,2-Benzenediol, 4-(2,3-dihydro-5,7-dimethoxy-1,4-benzoxathiin-2-yl)-
CAS No: 865541-38-4 Catalog No: AG004ULF MDL No:
Product Description
Catalog Number:
AG004ULF
Chemical Name:
1,2-Benzenediol, 4-(2,3-dihydro-5,7-dimethoxy-1,4-benzoxathiin-2-yl)-
CAS Number:
865541-38-4
Molecular Formula:
C16H16O5S
Molecular Weight:
320.3602
IUPAC Name:
4-(5,7-dimethoxy-2,3-dihydro-1,4-benzoxathiin-2-yl)benzene-1,2-diol
InChI:
InChI=1S/C16H16O5S/c1-19-10-6-13(20-2)16-14(7-10)21-15(8-22-16)9-3-4-11(17)12(18)5-9/h3-7,15,17-18H,8H2,1-2H3
InChI Key:
XYPFLFRBRGMQGR-UHFFFAOYSA-N
SMILES:
COc1cc2OC(CSc2c(c1)OC)c1ccc(c(c1)O)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.072g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.359g/mol
Monoisotopic Mass:
320.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Polyhydroxylated 4-thiaflavans as multipotent antioxidants: protective effect on oxidative DNA damage in vitro. | Bioorganic & medicinal chemistry letters 20060401 |
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