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336607-95-5 | 2,3-DIHYDRO-7-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)THIENO[3,4-B][1,4]DIOXINE-5-CARBALDEHYDE
CAS No: 336607-95-5 Catalog No: AG007CT0 MDL No:
Product Description
Catalog Number:
AG007CT0
Chemical Name:
2,3-DIHYDRO-7-(2,3-DIHYDROTHIENO[3,4-B][1,4]DIOXIN-5-YL)THIENO[3,4-B][1,4]DIOXINE-5-CARBALDEHYDE
CAS Number:
336607-95-5
Molecular Formula:
C13H10O5S2
Molecular Weight:
310.3455
IUPAC Name:
5-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-7-carbaldehyde
InChI:
InChI=1S/C13H10O5S2/c14-5-8-10-11(18-4-3-17-10)13(20-8)12-9-7(6-19-12)15-1-2-16-9/h5-6H,1-4H2
InChI Key:
HPMLDCNGCAXENG-UHFFFAOYSA-N
SMILES:
O=Cc1sc(c2c1OCCO2)c1scc2c1OCCO2
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.338g/mol
Monoisotopic Mass:
309.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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