(3S)-3-Butyl-4,5-Dihydro-2-Benzofuran-1(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16O2
IUPAC Name (3s)-3-butyl-4,5-dihydro-3h-isobenzofuran-1-one
Molecular Mass 192.254 g·mol−1
Heat of Formation -306.4 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 247.34 Å 3
Surface Area 238.15 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-butyl-4,5-dihydro-3h-2-benzofuran-1-one
  • (3s)-3-butyl-4,5-dihydro-3h-isobenzofuran-1-one
  • 1(3h)-isobenzofuranone, 3-butyl-4,5-dihydro-, (s)-
  • senkyunolide a
CAS Number(s)
  • 63038-10-8
InChIKey ZPIKVDODKLJKIN-NSHDSACASA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O