Name: Name:2-ethyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid
Brand: Angene
SKU: AG019WBQ
Rating: 90 (10 reviews)

2-ethyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

CAS No.:

1040033-65-5

Catalog Number:

AG019WBQ

Molecular Formula:

C10H9NO5S

Molecular Weight:

255.2472

Catalog Number:

AG019WBQ

Chemical Name:

2-ethyl-1,1,3-trioxo-2,3-dihydro-1,2-benzothiazole-6-carboxylic acid

CAS Number:

1040033-65-5

Molecular Formula:

C10H9NO5S

Molecular Weight:

255.2472

MDL Number:

MFCD11183567

IUPAC Name:

2-ethyl-1,1,3-trioxo-1,2-benzothiazole-6-carboxylic acid

InChI:

InChI=1S/C10H9NO5S/c1-2-11-9(12)7-4-3-6(10(13)14)5-8(7)17(11,15)16/h3-5H,2H2,1H3,(H,13,14)

InChI Key:

ITXJWRLNYSGFTE-UHFFFAOYSA-N

SMILES:

CCN1C(=O)c2c(S1(=O)=O)cc(cc2)C(=O)O

Complexity:

452

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.244g/mol

Monoisotopic Mass:

255.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

100A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5