4-(Hydroxymethyl)-1,3-benzodioxole - CAS 769-30-2

Catalog:	BB035754
Product Name:	4-(Hydroxymethyl)-1,3-benzodioxole
CAS:	769-30-2
Synonyms:	1,3-benzodioxol-4-ylmethanol; 1,3-benzodioxol-4-ylmethanol

Technical Data

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Computed Properties

IUPAC Name:	1,3-benzodioxol-4-ylmethanol
Description:	4-(Hydroxymethyl)-1,3-benzodioxole (CAS# 769-30-2) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	C1OC2=CC=CC(=C2O1)CO
InChI:	InChI=1S/C8H8O3/c9-4-6-2-1-3-7-8(6)11-5-10-7/h1-3,9H,4-5H2
InChI Key:	XVCMMPXFVAHHQN-UHFFFAOYSA-N
Boiling Point:	124 °C
Density:	1.329 g/cm³
LogP:	0.90760

Publication Number	Title	Priority Date
WO-2012114252-A1	Novel indole and pyrrolopyridine amides	20110221
WO-2012112447-A2	Histone deacetylase inhibitors and methods of use thereof	20110214
AU-2010309882-A1	Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors	20091020
AU-2010309882-B2	Heterocyclyl pyrazolopyrimidine analogues as JAK inhibitors	20091020
CA-2775009-A1	Heterocyclyl pyrazolopyrimidine analogues as jak inhibitors	20091020

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	137
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8