CAS 18787-63-8 | 2-Hexadecanone | CAS Number 18787-63-8

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18787-63-8 | 2-Hexadecanone

CAS No: 18787-63-8 Catalog No: AG002GJK MDL No:

Product Description

Catalog Number:

AG002GJK

Chemical Name:

2-Hexadecanone

CAS Number:

18787-63-8

Molecular Formula:

C16H32O

Molecular Weight:

240.4247

IUPAC Name:

hexadecan-2-one

InChI:

InChI=1S/C16H32O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(2)17/h3-15H2,1-2H3

InChI Key:

XCXKZBWAKKPFCJ-UHFFFAOYSA-N

SMILES:

CCCCCCCCCCCCCCC(=O)C

EC Number:

242-571-0

UNII:

LW5WI8V19D

Properties

Complexity:

163

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

240.245g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

240.431g/mol

Monoisotopic Mass:

240.245g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.8

Literature

Title	Journal
Investigation by imaging mass spectrometry of biomarker candidates for aging in the hair cortex.	PloS one 20110101
Identification of the female-produced sex pheromone of the scarab beetle, Hoplia equina.	Journal of chemical ecology 20030701
The absorption, distribution and excretion of 1- and 2-.	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20010701