Name: Name:4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiine-2-carboxylic acid
Brand: Angene
SKU: AG01A8GN
Rating: 90 (10 reviews)

4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiine-2-carboxylic acid

CAS No.:

1251923-88-2

Catalog Number:

AG01A8GN

Molecular Formula:

C9H8O5S

Molecular Weight:

228.2218

Catalog Number:

AG01A8GN

Chemical Name:

4,4-dioxo-2,3-dihydro-1,4lambda6-benzoxathiine-2-carboxylic acid

CAS Number:

1251923-88-2

Molecular Formula:

C9H8O5S

Molecular Weight:

228.2218

MDL Number:

MFCD16990617

IUPAC Name:

4,4-dioxo-2,3-dihydro-1,4λ6-benzoxathiine-2-carboxylic acid

InChI:

InChI=1S/C9H8O5S/c10-9(11)7-5-15(12,13)8-4-2-1-3-6(8)14-7/h1-4,7H,5H2,(H,10,11)

InChI Key:

USKKYHJQMOAEOD-UHFFFAOYSA-N

SMILES:

OC(=O)C1Oc2ccccc2S(=O)(=O)C1

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.218g/mol

Monoisotopic Mass:

228.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5