2-(2,4-Dimethoxyphenyl)acetonitrile - CAS 1891-11-8

Catalog:	BB014590
Product Name:	2-(2,4-Dimethoxyphenyl)acetonitrile
CAS:	1891-11-8
Synonyms:	2-(2,4-dimethoxyphenyl)acetonitrile; 2-(2,4-dimethoxyphenyl)acetonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(2,4-dimethoxyphenyl)acetonitrile
Description:	2-(2,4-Dimethoxyphenyl)acetonitrile (CAS# 1891-11-8 ) is a useful research chemical.
Molecular Weight:	177.20
Molecular Formula:	C10H11NO2
Canonical SMILES:	COC1=CC(=C(C=C1)CC#N)OC
InChI:	InChI=1S/C10H11NO2/c1-12-9-4-3-8(5-6-11)10(7-9)13-2/h3-4,7H,5H2,1-2H3
InChI Key:	RWELXDIUDWWGKU-UHFFFAOYSA-N
Boiling Point:	304.1 °C at 760 mmHg
Density:	1.082 g/cm³
LogP:	1.76988

Publication Number	Title	Priority Date
WO-2015117626-A1	Oligo- and polyaminotetrazoles and their use as mri contrast agents	20140207
EP-2986596-A2	Combretastatin analogs	20130419
US-10100029-B2	Combretastatin analogs	20130419
US-2016068506-A1	Combretastatin analogs	20130419
US-2018118710-A1	Combretastatin analogs	20130419

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Nitrogen Compounds

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Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.078978594
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.078978594
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1