1.0 2010-04-08 22:09:16 UTC 2019-11-26 03:04:02 UTC FDB010724 3-Methyl-9H-carbazole-9-carboxaldehyde Alkaloid from the roots of Murraya koenigii (curryleaf tree). 3-Methyl-9H-carbazole-9-carboxaldehyde is found in herbs and spices. 3-Methyl-9H-carbazole-9-carboxaldehyde 9-Formyl-3-methyl-9H-carbazole C14H11NO 209.2432 209.084063979 3-methyl-9H-carbazole-9-carbaldehyde 3-methylcarbazole-9-carbaldehyde CC1=CC2=C(C=C1)N(C=O)C1=CC=CC=C21 InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3 ODQBPNZNDIOBFN-UHFFFAOYSA-N belongs to the class of organic compounds known as n-acylcarbazoles. These are aromatic heteropolycyclic compounds containing a carbazole moiety, which is N-acylated. N-acylcarbazoles Organic compounds Organoheterocyclic compounds Indoles and derivatives Carbazoles Aromatic heteropolycyclic compounds Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Indoles Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteropolycyclic compound Azacycle Benzenoid Heteroaromatic compound Hydrocarbon derivative Indole N-acylcarbazole Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 3.16 ALOGPS logs -3.88 ALOGPS solubility 2.77e-02 g/l ALOGPS melting_point Mp 58-60° logp 2.88 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 3-methyl-9H-carbazole-9-carbaldehyde ChemAxon average_mass 209.2432 ChemAxon mono_mass 209.084063979 ChemAxon smiles CC1=CC2=C(C=C1)N(C=O)C1=CC=CC=C21 ChemAxon formula C14H11NO ChemAxon inchi InChI=1S/C14H11NO/c1-10-6-7-14-12(8-10)11-4-2-3-5-13(11)15(14)9-16/h2-9H,1H3 ChemAxon inchikey ODQBPNZNDIOBFN-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 63.29 ChemAxon polarizability 23.19 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 5730 Specdb::MsIr 5731 Specdb::CMs 16209 Specdb::CMs 130782 Specdb::CMs 138516 Specdb::MsMs 101472 Specdb::MsMs 101473 Specdb::MsMs 101474 Specdb::MsMs 167106 Specdb::MsMs 167107 Specdb::MsMs 167108 Specdb::MsMs 2364886 Specdb::MsMs 2364887 Specdb::MsMs 2364888 Specdb::MsMs 2597827 Specdb::MsMs 2597828 Specdb::MsMs 2597829 HMDB32757 #<Reference:0x000055ce307f9640> Herbs and Spices Unknown generic