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14527-42-5 | 2-Thiazolecarboxylic acid, ethyl ester
CAS No: 14527-42-5 Catalog No: AG001KQI MDL No:MFCD06204689
Product Description
Catalog Number:
AG001KQI
Chemical Name:
2-Thiazolecarboxylic acid, ethyl ester
CAS Number:
14527-42-5
Molecular Formula:
C6H7NO2S
Molecular Weight:
157.1903
MDL Number:
MFCD06204689
IUPAC Name:
ethyl 1,3-thiazole-2-carboxylate
InChI:
InChI=1S/C6H7NO2S/c1-2-9-6(8)5-7-3-4-10-5/h3-4H,2H2,1H3
InChI Key:
MVMPKHJUPNWMDZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nccs1
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.187g/mol
Monoisotopic Mass:
157.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis of novel aza-analogues of tiazofurin with 2-[5,5-bis(hydroxymethyl)pyrrolidin-2-yl] framework as sugar mimic. | Nucleosides, nucleotides & nucleic acids 20120101 |
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