Benzo[d][1,3]dioxol-4-ol - CAS 69393-72-2

Name: Benzo[d][1,3]dioxol-4-ol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB033804
Product Name:	Benzo[d][1,3]dioxol-4-ol
CAS:	69393-72-2
Synonyms:	2H-1,3-Benzodioxol-4-ol; 2,3-Methylenedioxyphenol; 4-Hydroxy-1,3-benzodioxole;1,3-Benzodioxol-4-ol; Paroxetine Impurity 16

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	1,3-benzodioxol-4-ol
Description:	An impurity of Paroxetine which is a selective serotonin reuptake inhibitor.
Molecular Weight:	138.12
Molecular Formula:	C7H6O3
Canonical SMILES:	C1OC2=CC=CC(=C2O1)O
InChI:	InChI=1S/C7H6O3/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3,8H,4H2
InChI Key:	XRSKRSVTUVLURN-UHFFFAOYSA-N
LogP:	1.12090

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Related Functional Groups

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Publication Number	Title	Priority Date
JP-2021059503-A	Benzotriazole-based compounds, UV absorbers containing the benzotriazole-based compounds, curable compositions for optical materials	20191004
WO-2021005501-A1	Naltrexone formulation	20190710
WO-2019153080-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
EP-3749672-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206
US-2020331921-A1	Inhibitors of the bcl6 btb domain protein-protein interaction and uses thereof	20180206

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.031694049
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	138.031694049
Rotatable Bond Count:	0
Topological Polar Surface Area:	38.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4