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89629-93-6 | 2,5-Thiophenedicarboxylic acid, 3-hydroxy-4-methyl-, dibutyl ester
CAS No: 89629-93-6 Catalog No: AG003WZS MDL No:
Product Description
Catalog Number:
AG003WZS
Chemical Name:
2,5-Thiophenedicarboxylic acid, 3-hydroxy-4-methyl-, dibutyl ester
CAS Number:
89629-93-6
Molecular Formula:
C15H22O5S
Molecular Weight:
314.3972
IUPAC Name:
dibutyl 3-hydroxy-4-methylthiophene-2,5-dicarboxylate
InChI:
InChI=1S/C15H22O5S/c1-4-6-8-19-14(17)12-10(3)11(16)13(21-12)15(18)20-9-7-5-2/h16H,4-9H2,1-3H3
InChI Key:
DGNCBYUGXPRPBV-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1sc(c(c1O)C)C(=O)OCCCC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.396g/mol
Monoisotopic Mass:
314.119g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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