CAS 17890-55-0 | Benzo[b]thiophene-2-carboxylic acid, ethyl ester | CAS Number 17890-55-0

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Carboxes > 17890-55-0

17890-55-0 | Benzo[b]thiophene-2-carboxylic acid, ethyl ester

CAS No: 17890-55-0 Catalog No: AG0026GT MDL No:MFCD00116430

Product Description

Catalog Number:

AG0026GT

Chemical Name:

Benzo[b]thiophene-2-carboxylic acid, ethyl ester

CAS Number:

17890-55-0

Molecular Formula:

C11H10O2S

Molecular Weight:

206.2609

MDL Number:

MFCD00116430

IUPAC Name:

ethyl 1-benzothiophene-2-carboxylate

InChI:

InChI=1S/C11H10O2S/c1-2-13-11(12)10-7-8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3

InChI Key:

PSLMIXGNCNQQRY-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cc2c(s1)cccc2

Properties

Complexity:

217

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

206.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

206.259g/mol

Monoisotopic Mass:

206.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Substituted benzothiophene or benzofuran derivatives as a novel class of bone morphogenetic protein-2 up-regulators: synthesis, structure-activity relationships, and preventive bone loss efficacies in senescence accelerated mice (SAMP6) and ovariectomized rats.	Journal of medicinal chemistry 20100225