Name: Name:2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid
Brand: Angene
SKU: AG01A9JL
Rating: 90 (10 reviews)

2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid

CAS No.:

248249-55-0

Catalog Number:

AG01A9JL

Molecular Formula:

C11H7NO4S

Molecular Weight:

249.2426

Catalog Number:

AG01A9JL

Chemical Name:

2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid

CAS Number:

248249-55-0

Molecular Formula:

C11H7NO4S

Molecular Weight:

249.2426

MDL Number:

MFCD07376369

IUPAC Name:

2-(1,3-benzodioxol-5-yl)-1,3-thiazole-4-carboxylic acid

InChI:

InChI=1S/C11H7NO4S/c13-11(14)7-4-17-10(12-7)6-1-2-8-9(3-6)16-5-15-8/h1-4H,5H2,(H,13,14)

InChI Key:

GYFWKVTWSJTRBO-UHFFFAOYSA-N

SMILES:

OC(=O)c1csc(n1)c1ccc2c(c1)OCO2

Complexity:

314

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

249.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

249.24g/mol

Monoisotopic Mass:

249.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3