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120155-43-3 | 4-Thiazoleacetic acid ethyl ester
CAS No: 120155-43-3 Catalog No: AG000QF7 MDL No:MFCD03011394
Product Description
Catalog Number:
AG000QF7
Chemical Name:
4-Thiazoleacetic acid ethyl ester
CAS Number:
120155-43-3
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD03011394
IUPAC Name:
ethyl 2-(1,3-thiazol-4-yl)acetate
InChI:
InChI=1S/C7H9NO2S/c1-2-10-7(9)3-6-4-11-5-8-6/h4-5H,2-3H2,1H3
InChI Key:
UMCBKPOYFXBWBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1cscn1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.214g/mol
Monoisotopic Mass:
171.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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