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16441-34-2 | 4-Thiazoleacetic acid, 2-phenyl-, ethyl ester
CAS No: 16441-34-2 Catalog No: AG001UVM MDL No:
Product Description
Catalog Number:
AG001UVM
Chemical Name:
4-Thiazoleacetic acid, 2-phenyl-, ethyl ester
CAS Number:
16441-34-2
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
InChI:
InChI=1S/C13H13NO2S/c1-2-16-12(15)8-11-9-17-13(14-11)10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3
InChI Key:
JXKUWLHMTFDRRS-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1csc(n1)c1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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