Home Carboxys 2-Thiophenecarboxylic acid, 3-ethoxy-

2-Thiophenecarboxylic acid, 3-ethoxy-

CAS No.:
139926-23-1
Catalog Number:
AG001BTF
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
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Product Description
Catalog Number:
AG001BTF
Chemical Name:
2-Thiophenecarboxylic acid, 3-ethoxy-
CAS Number:
139926-23-1
Molecular Formula:
C7H8O3S
Molecular Weight:
172.2016
MDL Number:
MFCD00205205
IUPAC Name:
3-ethoxythiophene-2-carboxylic acid
InChI:
InChI=1S/C7H8O3S/c1-2-10-5-3-4-11-6(5)7(8)9/h3-4H,2H2,1H3,(H,8,9)
InChI Key:
FTKDCOINUAYGTC-UHFFFAOYSA-N
SMILES:
CCOc1ccsc1C(=O)O
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.019g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
172.198g/mol
Monoisotopic Mass:
172.019g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties