1-Phenylnonane - CAS 1081-77-2

Catalog:	BB002185
Product Name:	1-Phenylnonane
CAS:	1081-77-2
Synonyms:	nonylbenzene

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Computed Properties

IUPAC Name:	nonylbenzene
Description:	1-Phenylnonane (CAS# 1081-77-2) is a useful research chemical compound.
Molecular Weight:	204.35
Molecular Formula:	C15H24
Canonical SMILES:	CCCCCCCCCC1=CC=CC=C1
InChI:	InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
InChI Key:	LIXVMPBOGDCSRM-UHFFFAOYSA-N
Boiling Point:	282 °C
Purity:	95 %
Density:	0.85 g/cm³
Appearance:	Colourless liquid
MDL:	MFCD00009575
LogP:	4.97970
Vapor Pressure:	0.00571 [mmHg]

Publication Number	Title	Priority Date
CN-108473528-A	High intensity sweetner	20151029
CN-108012525-A	Organosilicon for thermal protection	20150902
US-2015370143-A1	Display apparatus and display apparatus manufacturing method	20140624
WO-2015195614-A1	Motorcycle engine lubricant	20140618
WO-2015187899-A1	Optical fiber coating and composition	20140604

PMID	Publication Date	Title	Journal
22965495	20121028	Effects of alkyl chain length, solvent and tandem Claisen rearrangement on two-dimensional structures of noncyclic isobutenyl compounds: scanning tunnelling microscopic study	Organic & biomolecular chemistry
23125642	20121001	Dimethyl 7-meth-oxy-tetra-cyclo-[6.4.0.0(2,4).0(3,7)]dodeca-1(12),5,8,10-tetra-ene-3,4-dicarboxyl-ate	Acta crystallographica. Section E, Structure reports online
22641403	20120529	Occupational solvent exposure and cognition: does the association vary by level of education?	Neurology
21919041	20111201	Mitochondrial DNA copy number and hnRNP A2/B1 protein: biomarkers for direct exposure of benzene	Environmental toxicology and chemistry
21304920	20110201	A c-di-GMP effector system controls cell adhesion by inside-out signaling and surface protein cleavage	PLoS biology

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Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.187800766
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.187800766
Rotatable Bond Count:	8
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.1