2-Methyl-6-nitroanisole - CAS 18102-29-9

Catalog:	BB013781
Product Name:	2-Methyl-6-nitroanisole
CAS:	18102-29-9
Synonyms:	2-methoxy-1-methyl-3-nitrobenzene; 2-methoxy-1-methyl-3-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methoxy-1-methyl-3-nitrobenzene
Description:	2-Methyl-6-nitroanisole (CAS# 18102-29-9) is a useful research chemical.
Molecular Weight:	167.16
Molecular Formula:	C8H9NO3
Canonical SMILES:	CC1=C(C(=CC=C1)[N+](=O)[O-])OC
InChI:	InChI=1S/C8H9NO3/c1-6-4-3-5-7(9(10)11)8(6)12-2/h3-5H,1-2H3
InChI Key:	OCSBJPCSPDPAQL-UHFFFAOYSA-N
Boiling Point:	273.3 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	2.43500

Publication Number	Title	Priority Date
US-2016024065-A1	Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders	20130315
US-2016038475-A1	Coumarin derivatives and methods of use in treating hyperproliferative diseases	20130315
US-9815825-B2	Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders	20130315
WO-2014152213-A2	Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders	20130315
WO-2014152278-A2	Coumarin derivatives and methods of use in treating hyperproliferative diseases	20130315

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.058243149
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	167.058243149
Rotatable Bond Count:	1
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1