3-Hexadecanone - CAS 18787-64-9

Catalog:	BB014460
Product Name:	3-Hexadecanone
CAS:	18787-64-9
Synonyms:	hexadecan-3-one

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Computed Properties

IUPAC Name:	hexadecan-3-one
Description:	3-Hexadecanone (CAS# 18787-64-9) is a useful research chemical.
Molecular Weight:	240.42
Molecular Formula:	C16H32O
Canonical SMILES:	CCCCCCCCCCCCCC(=O)CC
InChI:	InChI=1S/C16H32O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3-15H2,1-2H3
InChI Key:	LTMXHUUHBSCKEK-UHFFFAOYSA-N
Boiling Point:	140 °C / 2 mmHg
Density:	0.829 g/cm³
Appearance:	White crystalline solid
MDL:	MFCD00048458
LogP:	5.66660

Publication Number	Title	Priority Date
JP-2021015124-A	Temperature indicator	20201015
CN-111793471-A	Composite phase change material, application method of composite phase change material and battery	20200630
JP-2021154560-A	Thermal discoloration writing tool	20200326
JP-2021146712-A	Ballpoint pen refill group arranged on the same type of shaft tube	20200323
JP-2021107543-A	A cursive set that includes a thermochromic ink composition, a built-in thermochromic cursive and refill for drafts, and a thermochromic cursive for drafts.	20191227

PMID	Publication Date	Title	Journal
21533081	20110420	TLR2-dependent induction of IL-10 and Foxp3+ CD25+ CD4+ regulatory T cells prevents effective anti-tumor immunity induced by Pam2 lipopeptides in vivo	PloS one

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Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.24531564
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.24531564
Rotatable Bond Count:	13
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.7