1.0 2010-04-08 22:11:48 UTC 2019-11-26 03:11:32 UTC FDB015382 Achillicin Constituent of Achillea millefolium (yarrow). Achillicin is found in herbs and spices. 2,2-Dichloro-N-methyl-acetamide 2,2-Dichloro-N-methylacetamide 8-Acetoxyartabsin Acetamide, 2,2-dichloro-N-methyl- Achillicin C17H22O5 306.3536 306.146723814 6-hydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,8H,9bH-azuleno[4,5-b]furan-4-yl acetate 6-hydroxy-3,6,9-trimethyl-2-oxo-3H,3aH,4H,5H,8H,9bH-azuleno[4,5-b]furan-4-yl acetate 71616-00-7 CC1C2C(OC1=O)C1=C(C)CC=C1C(C)(O)CC2OC(C)=O InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3 ZPTLTKQKVWFFNY-UHFFFAOYSA-N belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Gamma butyrolactones Organic compounds Organoheterocyclic compounds Lactones Gamma butyrolactones Aliphatic heteropolycyclic compounds Carbonyl compounds Carboxylic acid esters Cyclic alcohols and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Oxacyclic compounds Tertiary alcohols Tetrahydrofurans Alcohol Aliphatic heteropolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dicarboxylic acid or derivatives Gamma butyrolactone Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Tertiary alcohol Tetrahydrofuran logp 2.80 ALOGPS logs -2.57 ALOGPS solubility 8.24e-01 g/l ALOGPS logp 0.64 ChemAxon pka_strongest_acidic 14.28 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac 6-hydroxy-3,6,9-trimethyl-2-oxo-2H,3H,3aH,4H,5H,6H,8H,9bH-azuleno[4,5-b]furan-4-yl acetate ChemAxon average_mass 306.3536 ChemAxon mono_mass 306.146723814 ChemAxon smiles CC1C2C(OC1=O)C1=C(C)CC=C1C(C)(O)CC2OC(C)=O ChemAxon formula C17H22O5 ChemAxon inchi InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3 ChemAxon inchikey ZPTLTKQKVWFFNY-UHFFFAOYSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 80.25 ChemAxon polarizability 32.58 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 7418 Specdb::MsMs 7419 Specdb::MsMs 7420 Specdb::MsMs 14090 Specdb::MsMs 14091 Specdb::MsMs 14092 Specdb::MsMs 2464083 Specdb::MsMs 2464084 Specdb::MsMs 2464085 Specdb::MsMs 2502059 Specdb::MsMs 2502060 Specdb::MsMs 2502061 Specdb::CMs 13876 Specdb::CMs 44889 Specdb::CMs 134320 Specdb::CMs 142054 HMDB36487 #<Reference:0x000055ce32234af0> Herbs and Spices Unknown generic