3-Hydroxycinnamic acid - CAS 14755-02-3

Catalog:	BB010211
Product Name:	3-Hydroxycinnamic acid
CAS:	14755-02-3
Synonyms:	3-Coumaric acid
Application:	(E)-3-(3-Hydroxyphenyl)acrylic acid

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Computed Properties

IUPAC Name:	(E)-3-(3-hydroxyphenyl)prop-2-enoic acid
Description:	3-Hydroxycinnamic acid is found in the barks of Cinnamomum cassia Presl, it has antioxidant activity.
Molecular Weight:	164.16
Molecular Formula:	C9H8O3
Canonical SMILES:	C1=CC(=CC(=C1)O)C=CC(=O)O
InChI:	InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChI Key:	KKSDGJDHHZEWEP-SNAWJCMRSA-N
Boiling Point:	373.2 °C at 760 mmHg
Melting Point:	192 - 194 °C
Purity:	> 95 %
Density:	1.329 g/cm³
Appearance:	White powder
MDL:	MFCD00004390
LogP:	1.49000

Publication Number	Title	Priority Date
CN-113475741-A	Electronic atomized liquid with lasting fruit fragrance and preparation method thereof	20210724
CN-113265028-A	Sulfonated phenolic resin modified polyacrylamide and preparation method thereof	20210721
CN-113265028-B	Sulfonated phenolic resin modified polyacrylamide and preparation method thereof	20210721
CN-112939952-A	3-hydroxy chalcone derivative and application thereof	20210202
CN-112625798-A	Sucralose compound, preparation method thereof and atomized essence	20201130

PMID	Publication Date	Title	Journal
22434333	20120507	Characterization of hydroxycinnamic acid derivatives binding to bovine serum albumin	Organic & biomolecular chemistry
22589189	20120501	Proteogenomic evidence for β-oxidation of plant-derived 3-phenylpropanoids in 'Aromatoleum aromaticum' EbN1	Proteomics
22538650	20120401	Effect of natural mediators on the stability of Trametes trogii laccase during the decolourization of textile wastewaters	Journal of microbiology (Seoul, Korea)
22316076	20120308	Energetics and structural properties, in the gas phase, of trans-hydroxycinnamic acids	The journal of physical chemistry. A
22014177	20120101	Antimicrobial activity and phenolic content of natural site and micropropagated Limonium avei (De Not.) Brullo & Erben plant extracts	Natural product research

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Related Functional Groups

Carbonyl Compounds

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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:	186
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8