2-(3-Methoxyphenyl)-2-methylpropanenitrile - CAS 17653-93-9

Catalog:	BB013230
Product Name:	2-(3-Methoxyphenyl)-2-methylpropanenitrile
CAS:	17653-93-9
Synonyms:	2-(3-methoxyphenyl)-2-methylpropanenitrile; 2-(3-methoxyphenyl)-2-methylpropanenitrile

Technical Data

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Computed Properties

IUPAC Name:	2-(3-methoxyphenyl)-2-methylpropanenitrile
Description:	2-(3-Methoxyphenyl)-2-methylpropanenitrile (CAS# 17653-93-9 ) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C11H13NO
Canonical SMILES:	CC(C)(C#N)C1=CC(=CC=C1)OC
InChI:	InChI=1S/C11H13NO/c1-11(2,8-12)9-5-4-6-10(7-9)13-3/h4-7H,1-3H3
InChI Key:	YMUMJIHZRRIBPK-UHFFFAOYSA-N
MDL:	MFCD09414739
LogP:	2.49638

Publication Number	Title	Priority Date
WO-2019159168-A1	Cannabinoid derivatives and conjugates and uses thereof	20180213
US-2021009549-A1	Cannabinoid derivatives and conjugates and uses thereof	20180213
EP-3715343-A1	Diphenylaminopyrimidine compound for inhibiting kinase activity	20171221
US-2021087213-A1	Dianilinopyrimidine compound for inhibiting kinase activity	20171221
AU-2009317170-A1	Substituted pyrimidines for the treatment of diseases such as cancer	20081124

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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.099714038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	33
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9