CAS Registry Number®
28808-62-0
CAS Name
Fraxinellone
Molecular Formula
C14H16O3
Molecular Mass
232.27
Compound Properties
-
Melting Point (1)
117 °C
Source(s)
- (1) Thoms, H.; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft, (1930), 268, 39-48, CAplus
Other Names and Identifiers
InChI
InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1
InChIKey
InChIKey=XYYAFLHHHZVPRN-GXTWGEPZSA-N
SMILES
C[C@]12[C@@H](OC(=O)C1=C(C)CCC2)C=3C=COC3
Canonical SMILES
O=C1OC(C2=COC=C2)C3(C1=C(C)CCC3)C
Other Names for this Substance
- 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R,3aR)-
- Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-
- 1(3H)-Isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R–cis)-
- (3R,3aR)-3-(3-Furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-1(3H)-isobenzofuranone
- Fraxinellone
