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88105-21-9 | 2-Thiophenecarboxylic acid, 4-acetyl-, methyl ester
CAS No: 88105-21-9 Catalog No: AG004J16 MDL No:
Product Description
Catalog Number:
AG004J16
Chemical Name:
2-Thiophenecarboxylic acid, 4-acetyl-, methyl ester
CAS Number:
88105-21-9
Molecular Formula:
C8H8O3S
Molecular Weight:
184.2123
IUPAC Name:
methyl 4-acetylthiophene-2-carboxylate
InChI:
InChI=1S/C8H8O3S/c1-5(9)6-3-7(12-4-6)8(10)11-2/h3-4H,1-2H3
InChI Key:
KEHLONHMZPPFLQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1scc(c1)C(=O)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.019g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.209g/mol
Monoisotopic Mass:
184.019g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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