1-Nitro-2-propoxybenzene - CAS 3079-53-6

Catalog:	BB020727
Product Name:	1-Nitro-2-propoxybenzene
CAS:	3079-53-6
Synonyms:	1-nitro-2-propoxybenzene; 1-nitro-2-propoxybenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	1-nitro-2-propoxybenzene
Description:	1-Nitro-2-propoxybenzene (CAS# 3079-53-6 ) is a useful research chemical.
Molecular Weight:	181.19
Molecular Formula:	C9H11NO3
Canonical SMILES:	CCCOC1=CC=CC=C1[N+](=O)[O-]
InChI:	InChI=1S/C9H11NO3/c1-2-7-13-9-6-4-3-5-8(9)10(11)12/h3-6H,2,7H2,1H3
InChI Key:	IGIBTRWOXSIMMM-UHFFFAOYSA-N
LogP:	2.90680

Publication Number	Title	Priority Date
US-2020331869-A1	Methods for Preparing Fuel Additives	20171227
AU-2014240003-A1	Coumarin derivatives and methods of use in treating hyperproliferative diseases	20130315
AU-2014240026-A1	Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders	20130315
AU-2014240026-B2	Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders	20130315
CA-2903103-A1	Coumarin derivatives and methods of use in treating cystic fibrosis, chronic obstructive pulmonary disease, and misfolded protein disorders	20130315

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[62838-59-9]
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Complexity:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.07389321
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.07389321
Rotatable Bond Count:	3
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6