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2-Hexadecanone

CAS No.:
18787-63-8
Catalog Number:
AG002GJK
Molecular Formula:
C16H32O
Molecular Weight:
240.4247
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Product Description
Catalog Number:
AG002GJK
Chemical Name:
2-Hexadecanone
CAS Number:
18787-63-8
Molecular Formula:
C16H32O
Molecular Weight:
240.4247
MDL Number:
MFCD00042873
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:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.245g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.431g/mol
Monoisotopic Mass:
240.245g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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
Properties