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1414377-89-1 | 4H-Cyclopenta[c]thiophene-1-carboxylic acid, 3-acetyl-5,6-dihydro-, methyl ester
CAS No: 1414377-89-1 Catalog No: AG001GDL MDL No:MFCD28347696
Product Description
Catalog Number:
AG001GDL
Chemical Name:
4H-Cyclopenta[c]thiophene-1-carboxylic acid, 3-acetyl-5,6-dihydro-, methyl ester
CAS Number:
1414377-89-1
Molecular Formula:
C11H12O3S
Molecular Weight:
224.2762
MDL Number:
MFCD28347696
IUPAC Name:
methyl 1-acetyl-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carboxylate
InChI:
InChI=1S/C11H12O3S/c1-6(12)9-7-4-3-5-8(7)10(15-9)11(13)14-2/h3-5H2,1-2H3
InChI Key:
HUYIGIFSLALLPT-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(c2c1CCC2)C(=O)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.274g/mol
Monoisotopic Mass:
224.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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