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115726-51-7 | 2,5-Furandione, 3,4-bis(2-methyl-4,5-dipropyl-3-thienyl)-
CAS No: 115726-51-7 Catalog No: AG000GSD MDL No:
Product Description
Catalog Number:
AG000GSD
Chemical Name:
2,5-Furandione, 3,4-bis(2-methyl-4,5-dipropyl-3-thienyl)-
CAS Number:
115726-51-7
Molecular Formula:
C26H34O3S2
Molecular Weight:
458.6764
IUPAC Name:
3,4-bis(2-methyl-4,5-dipropylthiophen-3-yl)furan-2,5-dione
InChI:
InChI=1S/C26H34O3S2/c1-7-11-17-19(13-9-3)30-15(5)21(17)23-24(26(28)29-25(23)27)22-16(6)31-20(14-10-4)18(22)12-8-2/h7-14H2,1-6H3
InChI Key:
ITMQIYILCCVLPU-UHFFFAOYSA-N
SMILES:
CCCc1c(CCC)sc(c1C1=C(C(=O)OC1=O)c1c(C)sc(c1CCC)CCC)C
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.195g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.675g/mol
Monoisotopic Mass:
458.195g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
99.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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