GAMMA-PHENYL-GAMMA-BUTYROLACTONE

1. Names and Identifiers

1.2 Synonyms: (±)-γ-Phenyl-γ-butyrolactone; (RS)-γ-Phenyl-γ-butyrolactone; 2(3H)-Furanone, dihydro-5-phenyl-; 2,3-Dihydro-5-phenyl-2-furanone; 4,5-Dihydro-5-phenyl-2(3H)-furanone; 4-Phenyl-4-butanolide; 4-Phenyl-4-hydroxybutanoic acid lactone; 4-Phenylbutanolide; 4-Phenyl-γ-butyrolactone; 5-Phenyldihydrofuran-2(3H)-one; 5-Phenyltetrahydrofuran-2-one; Butyric acid, 4-hydroxy-4-phenyl-, γ-lactone; Dihydro-5-phenyl-2(3H)furanone; Dihydro-5-phenyl-2(3H)-furanone; Dihydro-5-phenyl-2-furanone; NSC 24259; NSC 48048; γ-Phenylbutyrolactone; γ-Phenyl-γ-butanolide; γ-Phenyl-γ-butyrolactone;

2. Properties

3. Use and Manufacturing

4. MSDS

no data available

no data available

5. NMR Spectrum

Mass spectrum (electron ionization)

6. Computed Properties

Molecular Weight：162.1852g/mol
Molecular Formula：C₁₀H₁₀O₂
Compound Is Canonicalized：True
Exact Mass：1.7
XLogP3-AA：162.068079557
Monoisotopic Mass：162.068079557
Complexity：171
Rotatable Bond Count：1
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：12
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAAAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABAAAAGgAAAAAADBSgmAIwCIAABACIAiDSCAACAAAgAAAIiAEACIgIJjKAMRiCMAAkwAEIqAeKyLCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==