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189331-46-2 | 2-Thiophenecarboxylic acid, 3-ethyl-, methyl ester
CAS No: 189331-46-2 Catalog No: AG002IBB MDL No:MFCD09955636
Product Description
Catalog Number:
AG002IBB
Chemical Name:
2-Thiophenecarboxylic acid, 3-ethyl-, methyl ester
CAS Number:
189331-46-2
Molecular Formula:
C8H10O2S
Molecular Weight:
170.2288
MDL Number:
MFCD09955636
IUPAC Name:
methyl 3-ethylthiophene-2-carboxylate
InChI:
InChI=1S/C8H10O2S/c1-3-6-4-5-11-7(6)8(9)10-2/h4-5H,3H2,1-2H3
InChI Key:
IWTHVCISEKEOIS-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1CC
Properties
Complexity:
147
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:
0
Isotope Atom Count:
0
Molecular Weight:
170.226g/mol
Monoisotopic Mass:
170.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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