Allyl 2-furoate - ≥98% , CAS No.4208-49-5

CAS: 4208-49-5 Cat. No.: A133703 Molecular Weight: 152.15 EC Number: 224-128-3

GRADE & PURITY ≥98%

Synonyms

2-Furancarboxylic acid, 2-propen-1-yl ester | FEMA No. 2030 | NSC 18604 | ALLYL2-FUROATE | Allyl 2-furancarboxylate | D81778 | prop-2-enyl uran-2-carboxylate | MFCD00016580 | Allyl 2-furoate | Allyl 2-furoate, >=98% | 2-Furancarboxylic acid, allyl ester |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

2-Furancarboxylic acid, 2-propen-1-yl ester | FEMA No. 2030 | NSC 18604 | ALLYL2-FUROATE | Allyl 2-furancarboxylate | D81778 | prop-2-enyl uran-2-carboxylate | MFCD00016580 | Allyl 2-furoate | Allyl 2-furoate, >=98% | 2-Furancarboxylic acid, allyl ester |

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488183482
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183482
• Canonical Smiles: C=CCOC(=O)C1=CC=CO1
• IUPAC Name: prop-2-enyl furan-2-carboxylate
• InChIKey: SJRQTHAMRUOPBJ-UHFFFAOYSA-N
• INCHI: 1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2
• Isomeric SMILES: C=CCOC(=O)C1=CC=CO1
• Molecular Weight: 152.15
• Reaxy-Rn: 118399
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=118399&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Furans
      • Subclass Furoic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Furans
• Subclass: Furoic acid and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Furoic acid esters
• Alternative Parents: Heteroaromatic compounds Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Furoic acid ester - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as furoic acid esters. These are ester derivatives of furoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Acyrthosiphon pisum (40 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 152.150 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 152.047 Da
• Monoisotopic Mass: 152.047 Da
• Topological Polar Surface Area: 39.400 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1