Name: Name:4-oxo-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid
Brand: Angene
SKU: AG01EJUY
Rating: 90 (10 reviews)

4-oxo-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid

CAS No.:

128121-49-3

Catalog Number:

AG01EJUY

Molecular Formula:

C10H8O3S

Molecular Weight:

208.2337

Catalog Number:

AG01EJUY

Chemical Name:

4-oxo-3,4-dihydro-2H-1-benzothiopyran-6-carboxylic acid

CAS Number:

128121-49-3

Molecular Formula:

C10H8O3S

Molecular Weight:

208.2337

MDL Number:

MFCD22426368

IUPAC Name:

4-oxo-2,3-dihydrothiochromene-6-carboxylic acid

InChI:

InChI=1S/C10H8O3S/c11-8-3-4-14-9-2-1-6(10(12)13)5-7(8)9/h1-2,5H,3-4H2,(H,12,13)

InChI Key:

FAIRORIZYRGTPW-UHFFFAOYSA-N

SMILES:

O=C1CCSc2c1cc(cc2)C(=O)O

Complexity:

264

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.019g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.231g/mol

Monoisotopic Mass:

208.019g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4