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

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

CAS No.:
154828-65-6
Catalog Number:
AG00HYA5
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
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Product Description
Catalog Number:
AG00HYA5
Chemical Name:
4-ethyl-5-methylthiophene-2-carboxylic acid
CAS Number:
154828-65-6
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD06357836
IUPAC Name:
4-ethyl-5-methylthiophene-2-carboxylic acid
InChI:
InChI=1S/C8H10O2S/c1-3-6-4-7(8(9)10)11-5(6)2/h4H,3H2,1-2H3,(H,9,10)
InChI Key:
GSSWLCSRUGMXBK-UHFFFAOYSA-N
SMILES:
CCc1cc(sc1C)C(=O)O
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.04g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties