Name: Name:3-methoxy-1,1-dioxo-1lambda6-thietane-3-carboxylic acid
Brand: Angene
SKU: AG01C77O
Rating: 90 (10 reviews)

3-methoxy-1,1-dioxo-1lambda6-thietane-3-carboxylic acid

CAS No.:

1780968-16-2

Catalog Number:

AG01C77O

Molecular Formula:

C5H8O5S

Molecular Weight:

180.1790

Catalog Number:

AG01C77O

Chemical Name:

3-methoxy-1,1-dioxo-1lambda6-thietane-3-carboxylic acid

CAS Number:

1780968-16-2

Molecular Formula:

C5H8O5S

Molecular Weight:

180.1790

MDL Number:

MFCD31434705

IUPAC Name:

3-methoxy-1,1-dioxothietane-3-carboxylic acid

InChI:

InChI=1S/C5H8O5S/c1-10-5(4(6)7)2-11(8,9)3-5/h2-3H2,1H3,(H,6,7)

InChI Key:

XVESCEGNUFWXQF-UHFFFAOYSA-N

SMILES:

COC1(CS(=O)(=O)C1)C(=O)O

Complexity:

260

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.009g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.174g/mol

Monoisotopic Mass:

180.009g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-1.3