CAS 124679-13-6 | 1-Pyreneacetonitrile, α-oxo- | CAS Number 124679-13-6

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124679-13-6 | 1-Pyreneacetonitrile, α-oxo-

CAS No: 124679-13-6 Catalog No: AG000MMH MDL No:

Product Description

Catalog Number:

AG000MMH

Chemical Name:

1-Pyreneacetonitrile, α-oxo-

CAS Number:

124679-13-6

Molecular Formula:

C18H9NO

Molecular Weight:

255.2702

IUPAC Name:

pyrene-1-carbonyl cyanide

InChI:

InChI=1S/C18H9NO/c19-10-16(20)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)18(13)17(11)12/h1-9H

InChI Key:

ZTLVIFYLZSQPBL-UHFFFAOYSA-N

SMILES:

N#CC(=O)c1ccc2c3c1ccc1c3c(cc2)ccc1

Properties

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

255.276g/mol

Monoisotopic Mass:

255.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

40.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.6

Literature

Title	Journal
An overview of conventional and emerging analytical methods for the determination of mycotoxins.	International journal of molecular sciences 20090101
Improvement of detection sensitivity of T-2 and HT-2 toxins using different fluorescent labeling reagents by high-performance liquid chromatography.	Talanta 20080215
Use of cyclodextrins as modifiers of fluorescence in the detection of mycotoxins.	Food additives & contaminants. Part A, Chemistry, analysis, control, exposure & risk assessment 20080201