CAS 5450-40-8 | 2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE | CAS Number 5450-40-8

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5450-40-8 | 2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

CAS No: 5450-40-8 Catalog No: AG00DELP MDL No:MFCD00033720

Product Description

Catalog Number:

AG00DELP

Chemical Name:

2-(2-HYDROXYETHYL)-1H-BENZO[DE]ISOQUINOLINE-1,3(2H)-DIONE

CAS Number:

5450-40-8

Molecular Formula:

C14H11NO3

Molecular Weight:

241.2420

MDL Number:

MFCD00033720

IUPAC Name:

2-(2-hydroxyethyl)benzo[de]isoquinoline-1,3-dione

InChI:

InChI=1S/C14H11NO3/c16-8-7-15-13(17)10-5-1-3-9-4-2-6-11(12(9)10)14(15)18/h1-6,16H,7-8H2

InChI Key:

XKPZHSCHHBRGLY-UHFFFAOYSA-N

SMILES:

OCCn1c(=O)c2cccc3c2c(c1=O)ccc3

UNII:

D1N3AMB16I

NSC Number:

11547

Properties

Complexity:

338

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.074g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.246g/mol

Monoisotopic Mass:

241.074g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5

Literature

Title	Journal
N-(2-Hydroxy-ethyl)-1,8-naphthalimide.	Acta crystallographica. Section E, Structure reports online 20090601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501