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1823338-68-6 | 3-Thiophenecarboxylic acid, 4-ethoxy-, methyl ester
CAS No: 1823338-68-6 Catalog No: AG0023N7 MDL No:
Product Description
Catalog Number:
AG0023N7
Chemical Name:
3-Thiophenecarboxylic acid, 4-ethoxy-, methyl ester
CAS Number:
1823338-68-6
Molecular Formula:
C8H10O3S
Molecular Weight:
186.2282
IUPAC Name:
methyl 4-ethoxythiophene-3-carboxylate
InChI:
InChI=1S/C8H10O3S/c1-3-11-7-5-12-4-6(7)8(9)10-2/h4-5H,3H2,1-2H3
InChI Key:
ZOMLMJBABQGNED-UHFFFAOYSA-N
SMILES:
CCOc1cscc1C(=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:
1.8
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