2-Hydroxy-4,5-dimethoxybenzaldehyde - CAS 14382-91-3

Catalog:	BB009674
Product Name:	2-Hydroxy-4,5-dimethoxybenzaldehyde
CAS:	14382-91-3
Synonyms:	2-hydroxy-4,5-dimethoxybenzaldehyde; 2-hydroxy-4,5-dimethoxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-hydroxy-4,5-dimethoxybenzaldehyde
Description:	2-Hydroxy-4,5-dimethoxybenzaldehyde (CAS# 14382-91-3) is a useful research chemical.
Molecular Weight:	182.17
Molecular Formula:	C9H10O4
Canonical SMILES:	COC1=C(C=C(C(=C1)C=O)O)OC
InChI:	InChI=1S/C9H10O4/c1-12-8-3-6(5-10)7(11)4-9(8)13-2/h3-5,11H,1-2H3
InChI Key:	XIKGRPKDQDFXLF-UHFFFAOYSA-N
Boiling Point:	315.76 °C at 760 mmHg
Density:	1.235 g/cm³
LogP:	1.22190

Publication Number	Title	Priority Date
CN-111620764-A	Selective ether bond breaking method of aryl alkyl ether	20200324
US-2021094933-A1	Rapafucin derivative compounds and methods of use thereof	20191001
WO-2021067439-A1	Rapafucin derivative compounds and methods of use thereof	20191001
WO-2020120528-A1	N-containing chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection	20181214
EP-3894402-A1	N-containing chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus infection	20181214

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.05790880
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	182.05790880
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5