Name: Name:2-(2H-1,3-benzodioxol-5-yl)-1,3-thiazole-5-carboxylic acid
Brand: Angene
SKU: AG01AAK9
Rating: 90 (10 reviews)

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

CAS No.:

1094385-70-2

Catalog Number:

AG01AAK9

Molecular Formula:

C11H7NO4S

Molecular Weight:

249.2426

Catalog Number:

AG01AAK9

Chemical Name:

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

CAS Number:

1094385-70-2

Molecular Formula:

C11H7NO4S

Molecular Weight:

249.2426

MDL Number:

MFCD07376772

IUPAC Name:

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

InChI:

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

InChI Key:

KLDNNIFPEQVRRN-UHFFFAOYSA-N

SMILES:

OC(=O)c1cnc(s1)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