3-(2-Furyl)acrylic Acid - CAS 539-47-9
Catalog: |
BB028410 |
Product Name: |
3-(2-Furyl)acrylic Acid |
CAS: |
539-47-9 |
Synonyms: |
(E)-3-(2-furanyl)-2-propenoic acid; (E)-3-(furan-2-yl)prop-2-enoic acid |
IUPAC Name: | (E)-3-(furan-2-yl)prop-2-enoic acid |
Description: | 3-(2-Furyl)acrylic Acid (CAS# 539-47-9) is a reactant used in the preparation of heteroaryl-substituted bis-trifluoromethyl carbinols and trifluoroacetophenone derivatives malonyl-CoA decarboxylase (MCD) inhibitors. |
Molecular Weight: | 138.12 |
Molecular Formula: | C7H6O3 |
Canonical SMILES: | C1=COC(=C1)C=CC(=O)O |
InChI: | InChI=1S/C7H6O3/c8-7(9)4-3-6-2-1-5-10-6/h1-5H,(H,8,9)/b4-3+ |
InChI Key: | ZCJLOOJRNPHKAV-ONEGZZNKSA-N |
Boiling Point: | 286-286 °C |
Density: | 1.28 g/cm3 |
MDL: | MFCD00003257 |
LogP: | 1.37740 |
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 |
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PMID | Publication Date | Title | Journal |
22219903 | 20111101 | 2,5-Dioxopyrrolidin-1-yl 3-(furan-2-yl)acrylate | Acta crystallographica. Section E, Structure reports online |
21167710 | 20110501 | Structure-activity relationships of trans-substituted-propenoic acid derivatives on the nicotinic acid receptor HCA2 (GPR109A) | Bioorganic & medicinal chemistry letters |
17806099 | 20071001 | Precursor-directed biosynthesis of stilbene methyl ethers in Escherichia coli | Biotechnology journal |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 138.031694049 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.031694049 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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