Molecule structure of (E)-5-Hydroxy-4-(2-phenylethenyl)-2(5H)-furanone (CAS NO.91269-98-6):

IUPAC Name: 2-Hydroxy-3-[(E)-2-phenylethenyl]-2H-furan-5-one 
Molecular Weight: 202.206 g/mol
Molecular Formula: C₁₂H₁₀O₃ 
Density: 1.417 g/cm³ 
Boiling Point: 458.2 °C at 760 mmHg 
Flash Point: 209.2 °C
Index of Refraction: 1.758
Molar Refractivity: 58.62 cm³
Molar Volume: 142.6 cm³
Polarizability: 23.23×10^-24 cm³
Surface Tension: 79.9 dyne/cm 
Enthalpy of Vaporization: 75.7 kJ/mol
Vapour Pressure: 3.44E-09 mmHg at 25 °C
XLogP3-AA: 1.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 202.062994
MonoIsotopic Mass: 202.062994
Topological Polar Surface Area: 46.5
Heavy Atom Count: 15
Complexity: 298
Canonical SMILES: C1=CC=C(C=C1)C=CC2=CC(=O)OC2O
Isomeric SMILES: C1=CC=C(C=C1)/C=C/C2=CC(=O)OC2O
InChI: InChI=1S/C12H10O3/c13-11-8-10(12(14)15-11)7-6-9-4-2-1-3-5-9/h1-8,12,14H/b7-6+
InChIKey of (E)-5-Hydroxy-4-(2-phenylethenyl)-2(5H)-furanone (CAS NO.91269-98-6): BRSGPHVHVGTCQM-VOTSOKGWSA-N

Questionable carcinogen with experimental carcinogenic data reported. When heated to decomposition it emits acrid smoke and irritating vapors.

 (E)-5-Hydroxy-4-(2-phenylethenyl)-2(5H)-furanone (CAS NO.91269-98-6) is also named as Kyn 54 ; CCRIS 7131 ; 2(5H)-Furanone, 5-hydroxy-4-(2-phenylethenyl)-, (E)- .