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139926-22-0 | 2-Thiophenecarboxylic acid, 3-ethoxy-, methyl ester
CAS No: 139926-22-0 Catalog No: AG001BTG MDL No:MFCD00102116
Product Description
Catalog Number:
AG001BTG
Chemical Name:
2-Thiophenecarboxylic acid, 3-ethoxy-, methyl ester
CAS Number:
139926-22-0
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
MDL Number:
MFCD00102116
IUPAC Name:
methyl 3-ethoxythiophene-2-carboxylate
InChI:
InChI=1S/C8H10O3S/c1-3-11-6-4-5-12-7(6)8(9)10-2/h4-5H,3H2,1-2H3
InChI Key:
JAGLXKOXARHKBR-UHFFFAOYSA-N
SMILES:
CCOc1ccsc1C(=O)OC
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.225g/mol
Monoisotopic Mass:
186.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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 |
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