CAS 58022-21-2 | 1-ISOQUINOLIN-1-YL-ETHANONE | CAS Number 58022-21-2

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58022-21-2 | 1-ISOQUINOLIN-1-YL-ETHANONE

CAS No: 58022-21-2 Catalog No: AG00EBQH MDL No:MFCD08062665

Product Description

Catalog Number:

AG00EBQH

Chemical Name:

1-ISOQUINOLIN-1-YL-ETHANONE

CAS Number:

58022-21-2

Molecular Formula:

C11H9NO

Molecular Weight:

171.1953

MDL Number:

MFCD08062665

IUPAC Name:

1-isoquinolin-1-ylethanone

InChI:

InChI=1S/C11H9NO/c1-8(13)11-10-5-3-2-4-9(10)6-7-12-11/h2-7H,1H3

InChI Key:

UBOQZJCKVLWPLH-UHFFFAOYSA-N

SMILES:

CC(=O)c1nccc2c1cccc2

Properties

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

171.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

171.199g/mol

Monoisotopic Mass:

171.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

30A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis, characterization, and in vitro cytotoxic activities of benzaldehyde thiosemicarbazone derivatives and their palladium (II) and platinum (II) complexes against various human tumor cell lines.	Bioinorganic chemistry and applications 20080101