Home Carboxys tert-butyl 2-acetyl-1,3-thiazole-5-carboxylate

tert-butyl 2-acetyl-1,3-thiazole-5-carboxylate

CAS No.:
1909305-97-0
Catalog Number:
AG01C34N
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
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Product Description
Catalog Number:
AG01C34N
Chemical Name:
tert-butyl 2-acetyl-1,3-thiazole-5-carboxylate
CAS Number:
1909305-97-0
Molecular Formula:
C10H13NO3S
Molecular Weight:
227.2801
MDL Number:
MFCD29906827
IUPAC Name:
tert-butyl 2-acetyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C10H13NO3S/c1-6(12)8-11-5-7(15-8)9(13)14-10(2,3)4/h5H,1-4H3
InChI Key:
KEJKVDLWCLNDKB-UHFFFAOYSA-N
SMILES:
O=C(c1cnc(s1)C(=O)C)OC(C)(C)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:
227.062g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.278g/mol
Monoisotopic Mass:
227.062g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties