1,3-Benzodioxole-4-carboxamide - CAS 69151-39-9

Catalog:	BB033709
Product Name:	1,3-Benzodioxole-4-carboxamide
CAS:	69151-39-9
Synonyms:	1,3-benzodioxole-4-carboxamide; 1,3-benzodioxole-4-carboxamide

Technical Data

Patents

Computed Properties

IUPAC Name:	1,3-benzodioxole-4-carboxamide
Description:	1,3-Benzodioxole-4-carboxamide (CAS# 69151-39-9 ) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	C1OC2=CC=CC(=C2O1)C(=O)N
InChI:	InChI=1S/C8H7NO3/c9-8(10)5-2-1-3-6-7(5)12-4-11-6/h1-3H,4H2,(H2,9,10)
InChI Key:	UHJCPTUYASMZRC-UHFFFAOYSA-N
Boiling Point:	269.3 °C at 760 mmHg
Density:	1.384 g/cm³
LogP:	1.21450

Publication Number	Title	Priority Date
WO-2018154493-A1	Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use	20170224
US-2009036478-A1	Substituted hydroxyethyl amine compounds as beta-secretase modulators and methods of use	20070525
EP-2038266-A2	Compounds as cannabinoid receptor ligands and uses thereof	20060531
WO-2007140385-A2	Thiazole compounds as cannabinoid receptor ligands and uses thereof	20060531
EP-1928840-A1	1h-pyrazole 4-carboxylamides, their preparation and their use as 11beta-hydroxysteroid dehydrogenase	20050405

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
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[5650-34-0]
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[17746-05-3]
Undecanoyl chloride
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(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	61.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6