4-Hydroxynicotinaldehyde - CAS 89380-70-1

Catalog:	BB039463
Product Name:	4-Hydroxynicotinaldehyde
CAS:	89380-70-1
Synonyms:	4-oxo-1H-pyridine-3-carboxaldehyde; 4-oxo-1H-pyridine-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-oxo-1H-pyridine-3-carbaldehyde
Description:	4-Hydroxynicotinaldehyde (CAS# 89380-70-1) is a useful research chemical.
Molecular Weight:	123.11
Molecular Formula:	C6H5NO2
Canonical SMILES:	C1=CNC=C(C1=O)C=O
InChI:	InChI=1S/C6H5NO2/c8-4-5-3-7-2-1-6(5)9/h1-4H,(H,7,9)
InChI Key:	IYPSYYLXHFGFPC-UHFFFAOYSA-N
Boiling Point:	277.3 °C at 760 mmHg
Density:	1.365 g/cm³
LogP:	0.59970

Publication Number	Title	Priority Date
DE-102019210986-A1	Increasing the stability of agents for treating keratin material	20190724
WO-2021013419-A1	Increasing the stability of agents for treating keratin material	20190724
US-2021130367-A1	6H-THIENO[2,3-e][1,2,4]TRIAZOLO[3,4-c][1,2,4]TRIAZEPINE DERIVATIVE	20170531
TW-201831500-A	Process for the preparation of l-glufosinate or salts thereof using ephedrine	20161215
TW-201837047-A	Process for the preparation of d-glufosinate or salts thereof using ephedrine	20161215

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Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.032028402
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	123.032028402
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2