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31119-05-8 | 4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester
CAS No: 31119-05-8 Catalog No: AG00325Q MDL No:
Product Description
Catalog Number:
AG00325Q
Chemical Name:
4-Thiazoleacetic acid, 2-(acetylamino)-, ethyl ester
CAS Number:
31119-05-8
Molecular Formula:
C9H12N2O3S
Molecular Weight:
228.2682
IUPAC Name:
ethyl 2-(2-acetamido-1,3-thiazol-4-yl)acetate
InChI:
InChI=1S/C9H12N2O3S/c1-3-14-8(13)4-7-5-15-9(11-7)10-6(2)12/h5H,3-4H2,1-2H3,(H,10,11,12)
InChI Key:
INGKHJJPHOQNBJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1csc(n1)NC(=O)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.057g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.266g/mol
Monoisotopic Mass:
228.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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