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5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid

5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid - CAS 5285-18-7

Catalog:	BB027967
Product Name:	5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid
CAS:	5285-18-7
Synonyms:	(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid

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Computed Properties

IUPAC Name:	5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Description:	5-(1,3-Benzodioxol-5-yl)-2,4-pentadienoic acid (CAS# 5285-18-7 ) is a useful research chemical.
Molecular Weight:	218.21
Molecular Formula:	C12H10O4
Canonical SMILES:	C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O
InChI:	InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
InChI Key:	RHBGITBPARBDPH-ZPUQHVIOSA-N
Boiling Point:	427.9 °C at 760 mmHg
Density:	1.34 g/cm³
LogP:	2.06930

Publication Number	Title	Priority Date
WO-2021043115-A1	Piperic acid derivative and application thereof	20190906
WO-2021043451-A1	Nucleic acids, proteins and processes for producing piperine and other amides	20190905
WO-2020189282-A1	Aqueous agrochemical suspension composition and method for spraying same	20190318
WO-2020127216-A1	Method and compounds to induce plant tolerance against arthropod pests	20181218
US-10980842-B2	Composition for promotng bone formation with fermented oysters and seaweed	20180615

PMID	Publication Date	Title	Journal
20546981	20100801	Synthesis and antileishmanial activity of piperoyl-amino acid conjugates	European journal of medicinal chemistry
20975915	20091206	Comparative study of antioxidants as cancer preventives through inhibition of HIF-1 alpha activity	Bioinformation
18201805	20080901	Design, synthesis and characterization of some bioactive conjugates of curcumin with glycine, glutamic acid, valine and demethylenated piperic acid and study of their antimicrobial and antiproliferative properties	European journal of medicinal chemistry
15698763	20050301	Design, development and synthesis of mixed bioconjugates of piperic acid-glycine, curcumin-glycine/alanine and curcumin-glycine-piperic acid and their antibacterial and antifungal properties	Bioorganic & medicinal chemistry

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.05790880
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.05790880
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	2
XLogP3:	2.7