2-hydroxy-3-methoxy-4-nitrobenzaldehyde - CAS 20041-61-6

Catalog:	BB060960
Product Name:	2-hydroxy-3-methoxy-4-nitrobenzaldehyde
CAS:	20041-61-6
Synonyms:	2-hydroxy-3-methoxy-4-nitrobenzaldehyde; Benzaldehyde, 2-hydroxy-3-methoxy-4-nitro-; 2-hydroxy-3-methoxy-4-nitro-benzaldehyde

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Computed Properties

IUPAC Name:	2-hydroxy-3-methoxy-4-nitrobenzaldehyde
Description:	2-hydroxy-3-methoxy-4-nitrobenzaldehyde (cas# 20041-61-6) is a useful research chemical.
Molecular Weight:	197.14
Molecular Formula:	C8H7NO5
Canonical SMILES:	COC1=C(C=CC(=C1O)C=O)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO5/c1-14-8-6(9(12)13)3-2-5(4-10)7(8)11/h2-4,11H,1H3
InChI Key:	PAQVXXZKNYZUOH-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2019191502-A1	Compounds for treatment of cardiac arrhythmias and heart failure	20180329
AU-2019243561-A1	Compounds for treatment of cardiac arrhythmias and heart failure	20180329
CA-3093551-A1	Compounds for treatment of cardiac arrhythmias and heart failure	20180329
CN-111936466-A	Compounds for the treatment of cardiac arrhythmias and heart failure	20180329
BR-112020018832-A2	compounds for the treatment of cardiac arrhythmias and heart failure	20180329
EP-3774734-A1	Compounds for treatment of cardiac arrhythmias and heart failure	20180329
KR-20200138756-A	Compounds for treating cardiac arrhythmia and heart failure	20180329
JP-2021519351-A	Compounds for the treatment of cardiac arrhythmias and heart failure	20180329
US-2021139429-A1	Compounds for treatment of cardiac arrhythmias and heart failure	20180329
AU-2015353077-A1	Novel cystobactamides	20141126

PMID	Publication Date	Title	Journal
21201238	20080930	6-Formyl-2-meth-oxy-3-nitro-phenyl 4-toluene-sulfonate	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	226
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	197.03242232
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	197.03242232
Rotatable Bond Count:	2
Topological Polar Surface Area:	92.4Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4