1.0 2010-04-08 22:09:59 UTC 2025-11-18 23:33:48 UTC FDB012100 7Z-Mycosinyl acetate Isol. Chrysanthemum coronarium (chop-suey greens). 7Z-Mycosinyl acetate is found in herbs and spices. 7Z-Mycosinol acetate 7Z-Mycosinyl acetate C15H12O4 256.2534 256.073558872 (7E)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-yl acetate (7E)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-yl acetate CC#CC#C\C=C1\OC2(OC=CC2OC(C)=O)C=C1 InChI=1S/C15H12O4/c1-3-4-5-6-7-13-8-10-15(19-13)14(9-11-17-15)18-12(2)16/h7-11,14H,1-2H3/b13-7+ XQVRVLVORPSYNU-NTUHNPAUSA-N belongs to the class of organic compounds known as ketals. These are acetals derived from ketones by replacement of the oxo group by two hydrocarbyloxy groups R2C(OR)2 ( R not Hydrogen ). This term, once abandoned, has been reinstated as a subclass of acetals. Ketals Organic compounds Organic oxygen compounds Organooxygen compounds Ethers Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Dihydrofurans Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dihydrofuran Hydrocarbon derivative Ketal Monocarboxylic acid or derivatives Organic oxide Organoheterocyclic compound Oxacycle logp 3.36 ALOGPS logs -4.05 ALOGPS solubility 2.27e-02 g/l ALOGPS melting_point Mp 123° (91°) logp 2.49 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (7E)-7-(hexa-2,4-diyn-1-ylidene)-1,6-dioxaspiro[4.4]nona-2,8-dien-4-yl acetate ChemAxon average_mass 256.2534 ChemAxon mono_mass 256.073558872 ChemAxon smiles CC#CC#C\C=C1\OC2(OC=CC2OC(C)=O)C=C1 ChemAxon formula C15H12O4 ChemAxon inchi InChI=1S/C15H12O4/c1-3-4-5-6-7-13-8-10-15(19-13)14(9-11-17-15)18-12(2)16/h7-11,14H,1-2H3/b13-7+ ChemAxon inchikey XQVRVLVORPSYNU-NTUHNPAUSA-N ChemAxon polar_surface_area 44.76 ChemAxon refractivity 72.81 ChemAxon polarizability 27.19 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14984 Specdb::CMs 136281 Specdb::CMs 144015 Specdb::MsMs 58293 Specdb::MsMs 58294 Specdb::MsMs 58295 Specdb::MsMs 114195 Specdb::MsMs 114196 Specdb::MsMs 114197 Specdb::MsMs 2737864 Specdb::MsMs 2737865 Specdb::MsMs 2737866 Specdb::MsMs 2970510 Specdb::MsMs 2970511 Specdb::MsMs 2970512 HMDB0033904 Herbs and Spices Unknown generic