Name: Name:Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-
Brand: Angene
SKU: AG000VWC
Rating: 90 (10 reviews)

Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-

CAS No.:

13130-43-3

Catalog Number:

AG000VWC

Molecular Formula:

C11H13NO3S

Molecular Weight:

239.2908

Catalog Number:

AG000VWC

Chemical Name:

Benzo[b]thiophene-3-carboxylic acid, 2-(acetylamino)-4,5,6,7-tetrahydro-

CAS Number:

13130-43-3

Molecular Formula:

C11H13NO3S

Molecular Weight:

239.2908

MDL Number:

MFCD00228323

IUPAC Name:

2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid

InChI:

InChI=1S/C11H13NO3S/c1-6(13)12-10-9(11(14)15)7-4-2-3-5-8(7)16-10/h2-5H2,1H3,(H,12,13)(H,14,15)

InChI Key:

YQJPHNLITLRBAJ-UHFFFAOYSA-N

SMILES:

CC(=O)Nc1sc2c(c1C(=O)O)CCCC2

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

239.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

239.289g/mol

Monoisotopic Mass:

239.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4