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113589-54-1 | 2-Thiophenecarboxylic acid, 3-ethoxy-4,5-dimethyl-
CAS No: 113589-54-1 Catalog No: AG00092T MDL No:
Product Description
Catalog Number:
AG00092T
Chemical Name:
2-Thiophenecarboxylic acid, 3-ethoxy-4,5-dimethyl-
CAS Number:
113589-54-1
Molecular Formula:
C9H12O3S
Molecular Weight:
200.2548
IUPAC Name:
3-ethoxy-4,5-dimethylthiophene-2-carboxylic acid
InChI:
InChI=1S/C9H12O3S/c1-4-12-7-5(2)6(3)13-8(7)9(10)11/h4H2,1-3H3,(H,10,11)
InChI Key:
KUVTWKMFGSVQBJ-UHFFFAOYSA-N
SMILES:
CCOc1c(sc(c1C)C)C(=O)O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.252g/mol
Monoisotopic Mass:
200.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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