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14559-14-9 | 2,4-Thiophenedicarboxylic acid, 3-methyl-, 2,4-diethyl ester
CAS No: 14559-14-9 Catalog No: AG001D7O MDL No:MFCD02257711
Product Description
Catalog Number:
AG001D7O
Chemical Name:
2,4-Thiophenedicarboxylic acid, 3-methyl-, 2,4-diethyl ester
CAS Number:
14559-14-9
Molecular Formula:
C11H14O4S
Molecular Weight:
242.2915
MDL Number:
MFCD02257711
IUPAC Name:
diethyl 3-methylthiophene-2,4-dicarboxylate
InChI:
InChI=1S/C11H14O4S/c1-4-14-10(12)8-6-16-9(7(8)3)11(13)15-5-2/h6H,4-5H2,1-3H3
InChI Key:
IFXVNMXHGVMSLZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(c1C)C(=O)OCC
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.289g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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