2-Thiophenecarboxylic acid, 3-hydroxy-4,5-dimethyl-, methyl ester


Chemical Name: 2-Thiophenecarboxylic acid, 3-hydroxy-4,5-dimethyl-, methyl ester
CAS Number: 32822-84-7
Product Number: AG00CLXJ(AGN-PC-0AAPOA)
Synonyms:
MDL No:
Molecular Formula: C8H10O3S
Molecular Weight: 186.2282

Identification/Properties


Computed Properties
Molecular Weight:
186.225g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
186.035g/mol
Monoisotopic Mass:
186.035g/mol
Topological Polar Surface Area:
74.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
183
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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