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1023594-54-8 | 2,4-Thiazoledicarboxylic acid, 4-(1,1-dimethylethyl) 2-ethyl ester
CAS No: 1023594-54-8 Catalog No: AG00078X MDL No:
Product Description
Catalog Number:
AG00078X
Chemical Name:
2,4-Thiazoledicarboxylic acid, 4-(1,1-dimethylethyl) 2-ethyl ester
CAS Number:
1023594-54-8
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
IUPAC Name:
4-O-tert-butyl 2-O-ethyl 1,3-thiazole-2,4-dicarboxylate
InChI:
InChI=1S/C11H15NO4S/c1-5-15-10(14)8-12-7(6-17-8)9(13)16-11(2,3)4/h6H,5H2,1-4H3
InChI Key:
ICBFKRQBYVYSLW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1scc(n1)C(=O)OC(C)(C)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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