5-ethyl-4-methylthiophene-2-carboxylic acid


Chemical Name: 5-ethyl-4-methylthiophene-2-carboxylic acid
CAS Number: 40808-25-1
Product Number: AG00CK0P(AGN-PC-0L1138)
Synonyms:
MDL No:
Molecular Formula: C8H10O2S
Molecular Weight: 170.2288

Identification/Properties


Computed Properties
Molecular Weight:
170.226g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
170.04g/mol
Monoisotopic Mass:
170.04g/mol
Topological Polar Surface Area:
65.5A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
158
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


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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