Fraxinellone
CAS Registry Number®
28808-62-0
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CAS Name
FraxinelloneMolecular Formula
C14H16O3Molecular Mass
232.27Cite this Page
Fraxinellone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=28808-62-0 (retrieved ) (CAS RN: 28808-62-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
117 °C
Source(s)
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