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114569-39-0 | 4-Thiazoleacetic acid, 2-amino-, 1,1-dimethylethyl ester
CAS No: 114569-39-0 Catalog No: AG000EPL MDL No:
Product Description
Catalog Number:
AG000EPL
Chemical Name:
4-Thiazoleacetic acid, 2-amino-, 1,1-dimethylethyl ester
CAS Number:
114569-39-0
Molecular Formula:
C9H14N2O2S
Molecular Weight:
214.2847
IUPAC Name:
tert-butyl 2-(2-amino-1,3-thiazol-4-yl)acetate
InChI:
InChI=1S/C9H14N2O2S/c1-9(2,3)13-7(12)4-6-5-14-8(10)11-6/h5H,4H2,1-3H3,(H2,10,11)
InChI Key:
JCCOWQFRHBUOEX-UHFFFAOYSA-N
SMILES:
O=C(Cc1csc(n1)N)OC(C)(C)C
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
214.283g/mol
Monoisotopic Mass:
214.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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