4-Hydroxy-3-methoxycinnamaldehyde - CAS 458-36-6

Catalog:	BB025988
Product Name:	4-Hydroxy-3-methoxycinnamaldehyde
CAS:	458-36-6
Synonyms:	(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
Description:	4-Hydroxy-3-methoxycinnamaldehyde (CAS# 458-36-6 ) is a useful research chemical.
Molecular Weight:	178.18
Molecular Formula:	C10H10O3
Canonical SMILES:	COC1=C(C=CC(=C1)C=CC=O)O
InChI:	InChI=1S/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3/b3-2+
InChI Key:	DKZBBWMURDFHNE-NSCUHMNNSA-N
Boiling Point:	175 °C / 5 mmHg (lit.)
Purity:	> 98 %
Density:	1.186 g/cm³
Appearance:	Powder
MDL:	MFCD00075811
LogP:	1.61290
Quality Standard:	Enterprise Standard

Publication Number	Title	Priority Date
CN-113264850-A	Synthetic method of nootropic ketonic A	20210527
CN-113181144-A	Application of coniferyl aldehyde in preparation of medicine for treating necrotizing enterocolitis of newborn	20210506
CN-112592903-A	Mutant pyruvate oxidase and application thereof in metabolism detoxification of 2-ketobutyric acid	20201231
CN-112210296-A	Light-colored water-based raw lacquer and preparation method thereof	20201023
CN-112210296-B	Light-colored water-based raw lacquer and preparation method thereof	20201023

PMID	Publication Date	Title	Journal
31944254	20200401	Wood Smoke Particles Stimulate MUC5AC Overproduction by Human Bronchial Epithelial Cells Through TRPA1 and EGFR Signaling	Toxicological sciences : an official journal of the Society of Toxicology
27378624	20160825	Selective inhibition of JAK2/STAT1 signaling and iNOS expression mediates the anti-inflammatory effects of coniferyl aldehyde	Chemico-biological interactions
26275128	20150921	Novel Nrf2/ARE activator, trans-Coniferylaldehyde, induces a HO-1-mediated defense mechanism through a dual p38α/MAPKAPK-2 and PK-N3 signaling pathway	Chemical research in toxicology
25862456	20150601	Biphenyl 4-Hydroxylases Involved in Aucuparin Biosynthesis in Rowan and Apple Are Cytochrome P450 736A Proteins	Plant physiology
23792125	20130826	In vivo antimalarial activity of Keetia leucantha twigs extracts and in vitro antiplasmodial effect of their constituents	Journal of ethnopharmacology

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Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	178.062994177
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.062994177
Rotatable Bond Count:	3
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5