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115726-49-3 | 2,5-Furandione, 3,4-bis(4,5-diethyl-2-methyl-3-thienyl)-
CAS No: 115726-49-3 Catalog No: AG000GSE MDL No:
Product Description
Catalog Number:
AG000GSE
Chemical Name:
2,5-Furandione, 3,4-bis(4,5-diethyl-2-methyl-3-thienyl)-
CAS Number:
115726-49-3
Molecular Formula:
C22H26O3S2
Molecular Weight:
402.5700
IUPAC Name:
3,4-bis(4,5-diethyl-2-methylthiophen-3-yl)furan-2,5-dione
InChI:
InChI=1S/C22H26O3S2/c1-7-13-15(9-3)26-11(5)17(13)19-20(22(24)25-21(19)23)18-12(6)27-16(10-4)14(18)8-2/h7-10H2,1-6H3
InChI Key:
UZIFEYUQZYEXLG-UHFFFAOYSA-N
SMILES:
CCc1c(CC)sc(c1C1=C(C(=O)OC1=O)c1c(C)sc(c1CC)CC)C
Properties
Complexity:
577
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.132g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.567g/mol
Monoisotopic Mass:
402.132g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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