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

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

CAS No.:
1895985-99-5
Catalog Number:
AG01B2O7
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
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Product Description
Catalog Number:
AG01B2O7
Chemical Name:
1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-2-carboxylic acid
CAS Number:
1895985-99-5
Molecular Formula:
C9H8O4S
Molecular Weight:
212.2224
MDL Number:
MFCD30535592
IUPAC Name:
1,1-dioxo-2,3-dihydro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H8O4S/c10-9(11)8-5-6-3-1-2-4-7(6)14(8,12)13/h1-4,8H,5H2,(H,10,11)
InChI Key:
FANLYUKHUKKYMU-UHFFFAOYSA-N
SMILES:
OC(=O)C1Cc2c(S1(=O)=O)cccc2
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.014g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.219g/mol
Monoisotopic Mass:
212.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties