Home Carboxys 2-(1-ethoxyethyl)-1,3-thiazole-4-carboxylic acid

2-(1-ethoxyethyl)-1,3-thiazole-4-carboxylic acid

CAS No.:
1297543-41-9
Catalog Number:
AG01AK59
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
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Product Description
Catalog Number:
AG01AK59
Chemical Name:
2-(1-ethoxyethyl)-1,3-thiazole-4-carboxylic acid
CAS Number:
1297543-41-9
Molecular Formula:
C8H11NO3S
Molecular Weight:
201.2428
MDL Number:
MFCD19982433
IUPAC Name:
2-(1-ethoxyethyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C8H11NO3S/c1-3-12-5(2)7-9-6(4-13-7)8(10)11/h4-5H,3H2,1-2H3,(H,10,11)
InChI Key:
NBBIVCFGEMSRSY-UHFFFAOYSA-N
SMILES:
CC(c1nc(cs1)C(=O)O)OCC
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.046g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
201.24g/mol
Monoisotopic Mass:
201.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties