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141704-11-2

141704-11-2 | 2-Thiazoleacetic acid, ethyl ester

CAS No: 141704-11-2 Catalog No: AG001GXC MDL No:MFCD12114489

Product Description

Catalog Number:
AG001GXC
Chemical Name:
2-Thiazoleacetic acid, ethyl ester
CAS Number:
141704-11-2
Molecular Formula:
C7H9NO2S
Molecular Weight:
171.2169
MDL Number:
MFCD12114489
IUPAC Name:
ethyl 2-(1,3-thiazol-2-yl)acetate
InChI:
InChI=1S/C7H9NO2S/c1-2-10-7(9)5-6-8-3-4-11-6/h3-4H,2,5H2,1H3
InChI Key:
OTMKLBXQEYBHJE-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1nccs1

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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