Mollugin

Molecule SVG Image

Properties Simple | Detailed

Formula C17H16O4
IUPAC Name methyl 6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylate
Molecular Mass 284.307 g·mol−1
Heat of Formation -516.0 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 332.41 Å 3
Surface Area 294.73 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-naphtho(1,2-b)pyran-5-carboxylic acid, 6-hydroxy-2,2-dimethyl-, methyl ester
  • 2h-naphtho[1,2-b]pyran-5-carboxylate, 2,2-dimethyl-6-hydroxy-, methyl ester
  • 6-hydroxy-2,2-dimethyl-5-benzo[h]chromenecarboxylic acid methyl ester
  • 6-hydroxy-2,2-dimethyl-benzo[h]chromene-5-carboxylic acid methyl ester
  • methyl 6-hydroxy-2,2-dimethyl-2h-benzo[h]chromene-5-carboxylate
  • methyl 6-hydroxy-2,2-dimethylbenzo[h]chromene-5-carboxylate
  • rubimaillin
CAS Number(s)
  • 55481-88-4
InChIKey VLGATXOTCNBWIT-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O