6-Hydroxybenzodioxole-5-carbaldehyde - CAS 4720-68-7

Catalog:	BB026235
Product Name:	6-Hydroxybenzodioxole-5-carbaldehyde
CAS:	4720-68-7
Synonyms:	6-hydroxy-1,3-benzodioxole-5-carboxaldehyde; 6-hydroxy-1,3-benzodioxole-5-carbaldehyde

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	6-hydroxy-1,3-benzodioxole-5-carbaldehyde
Description:	6-Hydroxybenzodioxole-5-carbaldehyde (CAS# 4720-68-7) is a useful research chemical.
Molecular Weight:	166.13
Molecular Formula:	C8H6O4
Canonical SMILES:	C1OC2=C(O1)C=C(C(=C2)C=O)O
InChI:	InChI=1S/C8H6O4/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-3,10H,4H2
InChI Key:	SXMMQAVECVAGBF-UHFFFAOYSA-N
LogP:	0.93340

Publication Number	Title	Priority Date
WO-2020120642-A1	Chroman-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection	20181214
CN-112996566-A	Chroman-4-one derivatives for the treatment and prevention of hepatitis B virus infection	20181214
WO-2020057028-A1	Phenylbenzofuran compound, preparation method therefor, composition and medical use thereof	20180920
CN-105739239-B	Photocurable/thermosetting resin composition, dry film, cured product, and printed wiring board	20141210
JP-2018501497-A	Photo-curable thermosetting resin composition, dry film, cured product, and printed wiring board	20141210

PMID	Publication Date	Title	Journal
22064802	20111001	6-Hy-droxy-2H-1,3-benzodioxole-5-carbaldehyde	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1427004-19-0]
DBCO-PEG4-NHS ester
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

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:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.02660867
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.02660867
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4