(E)-3-(4-Hydroxyphenyl)acrylaldehyde - CAS 20711-53-9

Catalog:	BB016207
Product Name:	(E)-3-(4-Hydroxyphenyl)acrylaldehyde
CAS:	20711-53-9
Synonyms:	(E)-3-(4-hydroxyphenyl)-2-propenal; (E)-3-(4-hydroxyphenyl)prop-2-enal

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Computed Properties

IUPAC Name:	(E)-3-(4-hydroxyphenyl)prop-2-enal
Description:	(E)-3-(4-Hydroxyphenyl)acrylaldehyde (CAS# 20711-53-9 ) is a useful research chemical.
Molecular Weight:	148.16
Molecular Formula:	C9H8O2
Canonical SMILES:	C1=CC(=CC=C1C=CC=O)O
InChI:	InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+
InChI Key:	CJXMVKYNVIGQBS-OWOJBTEDSA-N
Boiling Point:	309.4 °C at 760 mmHg
Melting Point:	140 °C
Density:	1.174 g/cm³
Solubility:	2.117e+004 mg/L at 25 °C (est)
Appearance:	Solid
LogP:	1.60430

Publication Number	Title	Priority Date
CN-113243458-A	Novel prebiotics and application thereof in livestock and poultry breeding	20210603
CN-112899739-A	Corrosion-resistant zinc-nickel electroplating solution and preparation method thereof	20210119
CN-112557545-A	Marker screening and identification of non-concentrated reduced apple juice based on non-targeted metabonomics and application thereof	20201216
CN-111269383-A	Self-repairing polyurethane elastomer without external stimulation and preparation method thereof	20200228
WO-2021159042-A1	Compositions comprising extracts of aplinia and other plants for improving joint health and treating arthritis	20200206

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
23266278	20130213	Antimicrobial compounds from Alpinia conchigera	Journal of ethnopharmacology
22735598	20121001	Phenylpropanoids of Alpinia galanga as efflux pump inhibitors in Mycobacterium smegmatis mc² 155	Fitoterapia
21940999	20111101	Molecular and biochemical basis for stress-induced accumulation of free and bound p-coumaraldehyde in cucumber	Plant physiology
21802408	20110819	Characterization of raspberry ketone/zingerone synthase, catalyzing the alpha, beta-hydrogenation of phenylbutenones in raspberry fruits	Biochemical and biophysical research communications

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P332+P313, P333+P313, P337+P313, P362, P363, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	148.052429494
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	148.052429494
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8