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18903-17-8 | 4,5-Thiazoledicarboxylic acid, 2-methyl-, 4,5-diethyl ester
CAS No: 18903-17-8 Catalog No: AG002HQP MDL No:
Product Description
Catalog Number:
AG002HQP
Chemical Name:
4,5-Thiazoledicarboxylic acid, 2-methyl-, 4,5-diethyl ester
CAS Number:
18903-17-8
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
IUPAC Name:
diethyl 2-methyl-1,3-thiazole-4,5-dicarboxylate
InChI:
InChI=1S/C10H13NO4S/c1-4-14-9(12)7-8(10(13)15-5-2)16-6(3)11-7/h4-5H2,1-3H3
InChI Key:
AYIRUTZHPSMMAW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(nc1C(=O)OCC)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.277g/mol
Monoisotopic Mass:
243.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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