1.0 2010-04-08 22:14:58 UTC 2019-11-26 03:18:50 UTC FDB020364 1-Methyl-2-pyrrolecarboxaldehyde Maillard product 1-Methyl-1H-pyrrole-2-carbaldehyde 1-Methyl-1H-pyrrole-2-carboxaldehyde 1-Methyl-2-formylpyrrole 1-Methyl-2-pyrrolaldehyde 1-Methyl-2-pyrrolecarboxaldehyde 1-Methyl-pyrrole-2-carboxaldehyde 1-methylformylpyrrole 1-Methylpyrrole-2-carbaldehyde 1-Methylpyrrole-2-carboxaldehyde 1-methylpyrrole-2-carboxyaldehyde 1H-Pyrrole-2-carboxaldehyde, 1-methyl- 2-Formyl-1-methylpyrrole N-Methyl-2-formylpyrrole N-Methyl-2-pyrrolecarboxaldehyde N-Methylpyrrole-2-aldehyde N-Methylpyrrole-2-carboxaldehyde N-methylpyrrole-2-carboxy aldehyde Pyrrole-2-carboxaldehyde, 1-methyl- C6H7NO 109.1259 109.052763851 1-methyl-1H-pyrrole-2-carbaldehyde 1-methylpyrrole-2-carbaldehyde 1192-58-1 CN1C=CC=C1C=O InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3 OUKQTRFCDKSEPL-UHFFFAOYSA-N belongs to the class of organic compounds known as aryl-aldehydes. Aryl-aldehydes are compounds containing an aldehyde group directly attached to an aromatic ring. Aryl-aldehydes Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives N-methylpyrroles Organic oxides Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Aryl-aldehyde Azacycle Heteroaromatic compound Hydrocarbon derivative N-methylpyrrole Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 0.44 ALOGPS logs -1.79 ALOGPS solubility 1.77e+00 g/l ALOGPS logp 0.91 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 1-methyl-1H-pyrrole-2-carbaldehyde ChemAxon average_mass 109.1259 ChemAxon mono_mass 109.052763851 ChemAxon smiles CN1C=CC=C1C=O ChemAxon formula C6H7NO ChemAxon inchi InChI=1S/C6H7NO/c1-7-4-2-3-6(7)5-8/h2-5H,1H3 ChemAxon inchikey OUKQTRFCDKSEPL-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 32.18 ChemAxon polarizability 11.29 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17118 Specdb::CMs 162163 Specdb::MsIr 9020 Specdb::MsIr 9021 Specdb::NmrOneD 42102 Specdb::NmrOneD 42103 Specdb::NmrOneD 42104 Specdb::NmrOneD 42105 Specdb::NmrOneD 42106 Specdb::NmrOneD 42107 Specdb::NmrOneD 42108 Specdb::NmrOneD 42109 Specdb::NmrOneD 42110 Specdb::NmrOneD 42111 Specdb::NmrOneD 42112 Specdb::NmrOneD 42113 Specdb::NmrOneD 42114 Specdb::NmrOneD 42115 Specdb::NmrOneD 42116 Specdb::NmrOneD 42117 Specdb::NmrOneD 42118 Specdb::NmrOneD 42119 Specdb::NmrOneD 42120 Specdb::NmrOneD 42121 Specdb::MsMs 64713 Specdb::MsMs 64714 Specdb::MsMs 64715 Specdb::MsMs 121947 Specdb::MsMs 121948 Specdb::MsMs 121949 Specdb::MsMs 2727682 Specdb::MsMs 2727683 Specdb::MsMs 2727684 Specdb::MsMs 2978618 Specdb::MsMs 2978619 Specdb::MsMs 2978620 HMDB40582 #<Reference:0x000055ce31f37ac8> Asparagus Type 1 specific Asparagus officinalis 4686