1.0 2010-04-08 22:12:12 UTC 2019-11-26 03:12:41 UTC FDB016055 2-Acetyl-4-methylpyridine Component of fig leaf absolute (Ficus carica). 2-Acetyl-4-methylpyridine is found in fruits. 1-(4-Methyl-2-pyridinyl)ethanone, 9CI 2-Acetyl-4-picoline Methyl 4-methyl-2-pyridyl ketone, 8CI C8H9NO 135.1632 135.068413915 1-(4-methylpyridin-2-yl)ethan-1-one 1-(4-methylpyridin-2-yl)ethanone 59576-26-0 CC(=O)C1=NC=CC(C)=C1 InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3 HRVQMQWVGKYDCF-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group. Aryl alkyl ketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Methylpyridines Organic oxides Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Aryl alkyl ketone Azacycle Heteroaromatic compound Hydrocarbon derivative Methylpyridine Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyridine logp 1.07 ALOGPS logs -0.34 ALOGPS solubility 6.17e+01 g/l ALOGPS melting_point Mp 33-34° logp 1.21 ChemAxon pka_strongest_acidic 15.01 ChemAxon pka_strongest_basic 3.53 ChemAxon iupac 1-(4-methylpyridin-2-yl)ethan-1-one ChemAxon average_mass 135.1632 ChemAxon mono_mass 135.068413915 ChemAxon smiles CC(=O)C1=NC=CC(C)=C1 ChemAxon formula C8H9NO ChemAxon inchi InChI=1S/C8H9NO/c1-6-3-4-9-8(5-6)7(2)10/h3-5H,1-2H3 ChemAxon inchikey HRVQMQWVGKYDCF-UHFFFAOYSA-N ChemAxon polar_surface_area 29.96 ChemAxon refractivity 38.97 ChemAxon polarizability 14.62 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19010 Specdb::CMs 133469 Specdb::CMs 141203 Specdb::MsIr 7374 Specdb::MsIr 7375 Specdb::NmrOneD 138610 Specdb::NmrOneD 138611 Specdb::NmrOneD 138612 Specdb::NmrOneD 138613 Specdb::NmrOneD 138614 Specdb::NmrOneD 138615 Specdb::NmrOneD 138616 Specdb::NmrOneD 138617 Specdb::NmrOneD 138618 Specdb::NmrOneD 138619 Specdb::NmrOneD 138620 Specdb::NmrOneD 138621 Specdb::NmrOneD 138622 Specdb::NmrOneD 138623 Specdb::NmrOneD 138624 Specdb::NmrOneD 138625 Specdb::NmrOneD 138626 Specdb::NmrOneD 138627 Specdb::NmrOneD 138628 Specdb::NmrOneD 138629 Specdb::MsMs 87102 Specdb::MsMs 87103 Specdb::MsMs 87104 Specdb::MsMs 149541 Specdb::MsMs 149542 Specdb::MsMs 149543 Specdb::MsMs 2726210 Specdb::MsMs 2726211 Specdb::MsMs 2726212 Specdb::MsMs 2978759 Specdb::MsMs 2978760 Specdb::MsMs 2978761 HMDB37071 #<Reference:0x000055ce32213d78> Fruits Unknown generic