Home Carboxys 5-methyl-1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-2-carboxylic acid

5-methyl-1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-2-carboxylic acid

CAS No.:
1893315-30-4
Catalog Number:
AG01DW2Y
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
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Product Description
Catalog Number:
AG01DW2Y
Chemical Name:
5-methyl-1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-2-carboxylic acid
CAS Number:
1893315-30-4
Molecular Formula:
C10H10O4S
Molecular Weight:
226.2490
MDL Number:
MFCD31616007
IUPAC Name:
5-methyl-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C10H10O4S/c1-6-2-3-8-7(4-6)5-9(10(11)12)15(8,13)14/h2-4,9H,5H2,1H3,(H,11,12)
InChI Key:
JJSGCVHXVXTUOI-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(S1(=O)=O)ccc(c2)C
Properties
Complexity:
367  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.246g/mol
Monoisotopic Mass:
226.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties