Home Carboxys Ethyl 2-(hydroxyMethyl)thiazole-4-carboxylate

Ethyl 2-(hydroxyMethyl)thiazole-4-carboxylate

CAS No.:
40235-65-2
Catalog Number:
AG00CN1W
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
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Product Description
Catalog Number:
AG00CN1W
Chemical Name:
Ethyl 2-(hydroxyMethyl)thiazole-4-carboxylate
CAS Number:
40235-65-2
Molecular Formula:
C7H9NO3S
Molecular Weight:
187.2163
MDL Number:
MFCD20924035
IUPAC Name:
ethyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C7H9NO3S/c1-2-11-7(10)5-4-12-6(3-9)8-5/h4,9H,2-3H2,1H3
InChI Key:
ORBNJGCTXHRSBC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)CO
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.213g/mol
Monoisotopic Mass:
187.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties