Name: Name:1,1-dioxo-2,3-dihydro-1lambda6-benzothiophene-5-carboxylic acid
Brand: Angene
SKU: AG01DTCR
Rating: 90 (10 reviews)

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

CAS No.:

226259-48-9

Catalog Number:

AG01DTCR

Molecular Formula:

C9H8O4S

Molecular Weight:

212.2224

Catalog Number:

AG01DTCR

Chemical Name:

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

CAS Number:

226259-48-9

Molecular Formula:

C9H8O4S

Molecular Weight:

212.2224

MDL Number:

MFCD24495120

IUPAC Name:

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

InChI:

InChI=1S/C9H8O4S/c10-9(11)7-1-2-8-6(5-7)3-4-14(8,12)13/h1-2,5H,3-4H2,(H,10,11)

InChI Key:

MPRPXLMHIKCBAC-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)CCS2(=O)=O

Complexity:

340

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.219g/mol

Monoisotopic Mass:

212.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7