3-(5-Acetylfuran-2-yl)prop-2-enoic acid

Base Information

• Chemical Name: 3-(5-Acetylfuran-2-yl)prop-2-enoic acid
• CAS No.: 111252-36-9
• Molecular Formula: C9H8O4
• Molecular Weight: 180.16
• Hs Code.: 2932190090
• DSSTox Substance ID: DTXSID30350020
• Mol file: 111252-36-9.mol

Synonyms:3-(5-acetylfuran-2-yl)prop-2-enoic acid;2-Propenoic acid,3-(5-acetyl-2-furanyl)-, (E)-(9CI);2-Propenoic acid,3-(5-acetyl-2-furanyl)-, (E)- (9CI);DTXSID30350020;3-(5-acetylfur-2-yl)acrylic acid;FT-0772911

Chemical Property of 3-(5-Acetylfuran-2-yl)prop-2-enoic acid

Chemical Property:

• Vapor Pressure: 4.05E-06mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 369.7 °C at 760 mmHg
• PKA: 4.13±0.10(Predicted)
• Flash Point: 177.4 °C
• PSA: 67.51000
• Density: 1.292 g/cm³
• LogP: 1.58000
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 180.04225873
• Heavy Atom Count: 13
• Complexity: 244

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=C(O1)C=CC(=O)O