(E)-3-(3,4-Dihydroxyphenyl)acrylaldehyde - CAS 141632-15-7

Catalog:	BB009207
Product Name:	(E)-3-(3,4-Dihydroxyphenyl)acrylaldehyde
CAS:	141632-15-7
Synonyms:	3-(3,4-dihydroxyphenyl)-2-propenal; 3-(3,4-dihydroxyphenyl)prop-2-enal

Technical Data

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Computed Properties

IUPAC Name:	(E)-3-(3,4-dihydroxyphenyl)prop-2-enal
Description:	(E)-3-(3,4-Dihydroxyphenyl)acrylaldehyde (CAS# 141632-15-7) is a metabolite produced by actinomycete Acrocarpospora punica.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	C1=CC(=C(C=C1C=CC=O)O)O
InChI:	InChI=1S/C9H8O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-6,11-12H
InChI Key:	AXMVYSVVTMKQSL-UHFFFAOYSA-N
LogP:	1.30990

Publication Number	Title	Priority Date
KR-102198787-B1	Novel feed crop comprising mutated COMT gene and uses thereof	20190905
JP-2019073566-A	Low astringent composition	20190226
WO-2020061223-A1	Novel small molecules that enhance flavor qualities of coffee and related beverages	20180918
WO-2020032744-A1	Catechin compound and use thereof	20180810
WO-2020032752-A1	Catechin compound and use thereof	20180810

PMID	Publication Date	Title	Journal
22923580	20120824	Assembly of an evolutionarily new pathway for α-pyrone biosynthesis in Arabidopsis	Science (New York, N.Y.)
17976886	20080301	Characterization of a caffeic acid 3-O-methyltransferase from wheat and its function in lignin biosynthesis	Biochimie
15118832	20040701	Characterization of a multifunctional methyltransferase from the orchid Vanilla planifolia	Plant cell reports
14994198	20040201	A new aristolactam alkaloid and anti-platelet aggregation constituents from Piper taiwanense	Planta medica
12423886	20021101	Monolignol biosynthesis in microsomal preparations from lignifying stems of alfalfa (Medicago sativa L.)	Phytochemistry

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid
[606-18-8]
2-Amino-3-nitrobenzoic Acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	164.047344113
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	164.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1