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132089-33-9 | 4-Thiazolecarboxylic acid, 2-(3-methylphenyl)-, ethyl ester
CAS No: 132089-33-9 Catalog No: AG001062 MDL No:MFCD06738345
Product Description
Catalog Number:
AG001062
Chemical Name:
4-Thiazolecarboxylic acid, 2-(3-methylphenyl)-, ethyl ester
CAS Number:
132089-33-9
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
MDL Number:
MFCD06738345
IUPAC Name:
ethyl 2-(3-methylphenyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C13H13NO2S/c1-3-16-13(15)11-8-17-12(14-11)10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
InChI Key:
LQCPJZNCZBKRBX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)c1cccc(c1)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:
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:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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