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


Chemical Name: 1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-5-carboxylic acid
CAS Number: 226259-48-9
Product Number: AG01DTCR(AG01DTCR)
Synonyms:
MDL No:
Molecular Formula: C9H8O4S
Molecular Weight: 212.2224

Identification/Properties


Computed Properties
Molecular Weight:
212.219g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
212.014g/mol
Monoisotopic Mass:
212.014g/mol
Topological Polar Surface Area:
79.8A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
340
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback