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175277-29-9 | 4-Thiazolecarboxylic acid, 5-acetyl-2-methyl-, ethyl ester
CAS No: 175277-29-9 Catalog No: AG0020S2 MDL No:MFCD00173821
Product Description
Catalog Number:
AG0020S2
Chemical Name:
4-Thiazolecarboxylic acid, 5-acetyl-2-methyl-, ethyl ester
CAS Number:
175277-29-9
Molecular Formula:
C9H11NO3S
Molecular Weight:
213.2535
MDL Number:
MFCD00173821
IUPAC Name:
ethyl 5-acetyl-2-methyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C9H11NO3S/c1-4-13-9(12)7-8(5(2)11)14-6(3)10-7/h4H2,1-3H3
InChI Key:
ZKQVERUSRNPGSB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc(sc1C(=O)C)C
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.251g/mol
Monoisotopic Mass:
213.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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