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128775-88-2 | 2-Thiophenecarboxylic acid, 2-chloro-2,3-dihydro-4-methyl-3-oxo-, methyl ester
CAS No: 128775-88-2 Catalog No: AG000YDS MDL No:
Product Description
Catalog Number:
AG000YDS
Chemical Name:
2-Thiophenecarboxylic acid, 2-chloro-2,3-dihydro-4-methyl-3-oxo-, methyl ester
CAS Number:
128775-88-2
Molecular Formula:
C7H7ClO3S
Molecular Weight:
206.6467
IUPAC Name:
methyl 2-chloro-4-methyl-3-oxothiophene-2-carboxylate
InChI:
InChI=1S/C7H7ClO3S/c1-4-3-12-7(8,5(4)9)6(10)11-2/h3H,1-2H3
InChI Key:
KTMJJQXPWKCVNR-UHFFFAOYSA-N
SMILES:
COC(=O)C1(Cl)SC=C(C1=O)C
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.64g/mol
Monoisotopic Mass:
205.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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