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168907-78-6 | 2,4-Thiazoledicarboxylic acid, 4-ethyl 2-methyl ester
CAS No: 168907-78-6 Catalog No: AG001YDH MDL No:
Product Description
Catalog Number:
AG001YDH
Chemical Name:
2,4-Thiazoledicarboxylic acid, 4-ethyl 2-methyl ester
CAS Number:
168907-78-6
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
IUPAC Name:
4-O-ethyl 2-O-methyl 1,3-thiazole-2,4-dicarboxylate
InChI:
InChI=1S/C8H9NO4S/c1-3-13-7(10)5-4-14-6(9-5)8(11)12-2/h4H,3H2,1-2H3
InChI Key:
SPPYUISJPUJITL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C(=O)OC
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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