Home Carboxys 4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester

4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester

CAS No.:
160060-21-9
Catalog Number:
AG001RN0
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
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Product Description
Catalog Number:
AG001RN0
Chemical Name:
4-Thiazolecarboxylic acid, 2-acetyl-, ethyl ester
CAS Number:
160060-21-9
Molecular Formula:
C8H9NO3S
Molecular Weight:
199.2270
MDL Number:
MFCD18833743
IUPAC Name:
ethyl 2-acetyl-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C8H9NO3S/c1-3-12-8(11)6-4-13-7(9-6)5(2)10/h4H,3H2,1-2H3
InChI Key:
WBRRJINEWZWGLJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)C(=O)C
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.03g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.224g/mol
Monoisotopic Mass:
199.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties