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14121-49-4 | 1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione
CAS No: 14121-49-4 Catalog No: AG001G2B MDL No:MFCD00624327
Product Description
Catalog Number:
AG001G2B
Chemical Name:
1H,3H-Thioxantheno[2,1,9-def]-2-benzopyran-1,3-dione
CAS Number:
14121-49-4
Molecular Formula:
C18H8O3S
Molecular Weight:
304.3193
MDL Number:
MFCD00624327
IUPAC Name:
14-oxa-8-thiapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2,4,6,9,11,16(20),17-octaene-13,15-dione
InChI:
InChI=1S/C18H8O3S/c19-17-11-6-5-10-9-3-1-2-4-13(9)22-14-8-7-12(18(20)21-17)15(11)16(10)14/h1-8H
InChI Key:
YCJAUMBAFBAMFV-UHFFFAOYSA-N
SMILES:
O=c1oc(=O)c2c3c1ccc1c3c(cc2)sc2c1cccc2
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.019g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.319g/mol
Monoisotopic Mass:
304.019g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| A carbohydrate-antioxidant hybrid polymer reduces oxidative damage in spermatozoa and enhances fertility. | Nature chemical biology 20051001 |
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