3-(2-Methylphenoxy)propanenitrile - CAS 25268-05-7

Catalog:	BB018830
Product Name:	3-(2-Methylphenoxy)propanenitrile
CAS:	25268-05-7
Synonyms:	3-(2-methylphenoxy)propanenitrile; 3-(2-methylphenoxy)propanenitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(2-methylphenoxy)propanenitrile
Description:	3-(2-Methylphenoxy)propanenitrile (CAS# 25268-05-7 ) is a useful research chemical.
Molecular Weight:	161.20
Molecular Formula:	C10H11NO
Canonical SMILES:	CC1=CC=CC=C1OCCC#N
InChI:	InChI=1S/C10H11NO/c1-9-5-2-3-6-10(9)12-8-4-7-11/h2-3,5-6H,4,8H2,1H3
InChI Key:	QNJKMBLSQHRIRU-UHFFFAOYSA-N
MDL:	MFCD03150781
LogP:	2.28748

Publication Number	Title	Priority Date
EP-2053918-B1	Propyl phenoxy ethers for use as delivery agents	20060818
JP-2010501489-A	Synthesis of propylphenoxy ether and use as a delivery agent	20060818
JP-5564255-B2	Synthesis of propylphenoxy ether and use as a delivery agent	20060818
US-2010062970-A1	Synthesis of propyl phenoxy ethers and use as delivery agents	20060818
EP-0008973-A2	A process for preparing phenoxylactic acids and their derivatives, and products obtained	19780818

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Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.084063974
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.084063974
Rotatable Bond Count:	3
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4