Name: Name:1,1-dioxo-3,4-dihydro-2H-1lambda6-thiopyran-5-carboxylic acid
Brand: Angene
SKU: AG01C737
Rating: 90 (10 reviews)

1,1-dioxo-3,4-dihydro-2H-1lambda6-thiopyran-5-carboxylic acid

CAS No.:

99418-18-5

Catalog Number:

AG01C737

Molecular Formula:

C6H8O4S

Molecular Weight:

176.1903

Catalog Number:

AG01C737

Chemical Name:

1,1-dioxo-3,4-dihydro-2H-1lambda6-thiopyran-5-carboxylic acid

CAS Number:

99418-18-5

Molecular Formula:

C6H8O4S

Molecular Weight:

176.1903

MDL Number:

MFCD20646297

IUPAC Name:

1,1-dioxo-3,4-dihydro-2H-thiopyran-5-carboxylic acid

InChI:

InChI=1S/C6H8O4S/c7-6(8)5-2-1-3-11(9,10)4-5/h4H,1-3H2,(H,7,8)

InChI Key:

QXWCCUNTWLGBAB-UHFFFAOYSA-N

SMILES:

OC(=O)C1=CS(=O)(=O)CCC1

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

176.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

176.186g/mol

Monoisotopic Mass:

176.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.3