Name: Name:4-cyano-1,1-dioxo-1lambda6-thiane-4-carboxylic acid
Brand: Angene
SKU: AG01AH84
Rating: 90 (10 reviews)

4-cyano-1,1-dioxo-1lambda6-thiane-4-carboxylic acid

CAS No.:

1935323-61-7

Catalog Number:

AG01AH84

Molecular Formula:

C7H9NO4S

Molecular Weight:

203.2157

Catalog Number:

AG01AH84

Chemical Name:

4-cyano-1,1-dioxo-1lambda6-thiane-4-carboxylic acid

CAS Number:

1935323-61-7

Molecular Formula:

C7H9NO4S

Molecular Weight:

203.2157

MDL Number:

MFCD31559778

IUPAC Name:

4-cyano-1,1-dioxothiane-4-carboxylic acid

InChI:

InChI=1S/C7H9NO4S/c8-5-7(6(9)10)1-3-13(11,12)4-2-7/h1-4H2,(H,9,10)

InChI Key:

LSWZPNXPMVFIRH-UHFFFAOYSA-N

SMILES:

N#CC1(CCS(=O)(=O)CC1)C(=O)O

Complexity:

355

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

203.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

203.212g/mol

Monoisotopic Mass:

203.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.6