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89628-29-5 | 2,5-Thiophenedicarboxylic acid, 3-(acetyloxy)-4-methyl-, dimethyl ester
CAS No: 89628-29-5 Catalog No: AG003WZW MDL No:
Product Description
Catalog Number:
AG003WZW
Chemical Name:
2,5-Thiophenedicarboxylic acid, 3-(acetyloxy)-4-methyl-, dimethyl ester
CAS Number:
89628-29-5
Molecular Formula:
C11H12O6S
Molecular Weight:
272.2744
IUPAC Name:
dimethyl 3-acetyloxy-4-methylthiophene-2,5-dicarboxylate
InChI:
InChI=1S/C11H12O6S/c1-5-7(17-6(2)12)9(11(14)16-4)18-8(5)10(13)15-3/h1-4H3
InChI Key:
JHJXBTFFZLHVIE-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c(c1OC(=O)C)C)C(=O)OC
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.271g/mol
Monoisotopic Mass:
272.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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