3-(5-Methylfuran-2-yl)acrylic Acid - CAS 14779-25-0

Catalog:	BB010237
Product Name:	3-(5-Methylfuran-2-yl)acrylic Acid
CAS:	14779-25-0
Synonyms:	(E)-3-(5-methyl-2-furanyl)-2-propenoic acid; (E)-3-(5-methylfuran-2-yl)prop-2-enoic acid

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Computed Properties

IUPAC Name:	(E)-3-(5-methylfuran-2-yl)prop-2-enoic acid
Description:	3-(5-Methylfuran-2-yl)acrylic Acid (CAS# 14779-25-0) is a useful research chemical.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	CC1=CC=C(O1)C=CC(=O)O
InChI:	InChI=1S/C8H8O3/c1-6-2-3-7(11-6)4-5-8(9)10/h2-5H,1H3,(H,9,10)/b5-4+
InChI Key:	CQCKLDAUFPKXPU-SNAWJCMRSA-N
Boiling Point:	262.6 °C at 760 mmHg
Density:	1.225 g/cm³
MDL:	MFCD00186942
LogP:	1.68580

Publication Number	Title	Priority Date
CN-107602372-B	Process for producing fatty acid	20170831
EP-3600296-A1	Novel compounds, compositions and methods for treating insulin resistance	20170320
FR-3063903-A1	NOVEL COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING INSULIN RESISTANCE	20170320
US-2020030297-A1	Novel compounds, compositions and methods for treating insulin resistance	20170320
WO-2018172306-A1	Novel compounds, compositions and methods for treating insulin resistance	20170320

PMID	Publication Date	Title	Journal
21167710	20110501	Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A)	Bioorganic & medicinal chemistry letters
21106277	20110101	Design, synthesis and pharmacobiological evaluation of novel acrylic acid derivatives acting as lipoxygenase and cyclooxygenase-1 inhibitors with antioxidant and anti-inflammatory activities	European journal of medicinal chemistry

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4