4-Methoxypyridin-2(1H)-one - CAS 52545-13-8

Catalog:	BB027862
Product Name:	4-Methoxypyridin-2(1H)-one
CAS:	52545-13-8
Synonyms:	4-methoxy-1H-pyridin-2-one; 4-methoxy-1H-pyridin-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methoxy-1H-pyridin-2-one
Description:	4-Methoxypyridin-2(1H)-one (CAS# 52545-13-8) is a useful research chemical.
Molecular Weight:	125.13
Molecular Formula:	C6H7NO2
Canonical SMILES:	COC1=CC(=O)NC=C1
InChI:	InChI=1S/C6H7NO2/c1-9-5-2-3-7-6(8)4-5/h2-4H,1H3,(H,7,8)
InChI Key:	BZIUQZRSHNDQTH-UHFFFAOYSA-N
Boiling Point:	355.1 °C at 760 mmHg
Density:	1.16 g/cm³
MDL:	MFCD09839191
LogP:	0.79580

Publication Number	Title	Priority Date
KR-102058200-B1	Black rice sprouting liquid having antimocrobial or antiviral effect and manufacturing method thereof	20190319
WO-2020117877-A1	Compounds, compositions and methods of use	20181204
EP-3542811-A1	Black rice sprouting liquid having anti-inflammatory effect and manufacturing method thereof	20180320
US-2019290716-A1	Black rice sprouting liquid having anti-inflammatory effect and manufacturing method thereof	20180320
WO-2019182313-A1	Black rice germination liquid having anti-inflammatory effect and method for preparing same	20180320

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Related Functional Groups

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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:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	125.047678466
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	125.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1