Name: Name:Benzo[b]thiophene-5-carboxylic acid, 1,1-dioxide
Brand: Angene
SKU: AG01DTCS
Rating: 90 (10 reviews)

Benzo[b]thiophene-5-carboxylic acid, 1,1-dioxide

CAS No.:

226259-47-8

Catalog Number:

AG01DTCS

Molecular Formula:

C9H6O4S

Molecular Weight:

210.2065

Catalog Number:

AG01DTCS

Chemical Name:

Benzo[b]thiophene-5-carboxylic acid, 1,1-dioxide

CAS Number:

226259-47-8

Molecular Formula:

C9H6O4S

Molecular Weight:

210.2065

MDL Number:

MFCD31544325

IUPAC Name:

1,1-dioxo-1-benzothiophene-5-carboxylic acid

InChI:

InChI=1S/C9H6O4S/c10-9(11)7-1-2-8-6(5-7)3-4-14(8,12)13/h1-5H,(H,10,11)

InChI Key:

KJBAZFOFYZODKB-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc2c(c1)C=CS2(=O)=O

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

209.999g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

210.203g/mol

Monoisotopic Mass:

209.999g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4