1.0 2010-04-08 22:11:31 UTC 2018-05-29 01:15:20 UTC FDB014880 1-Ethyl-1H-pyrrole-2-carboxaldehyde It is used as a food additive 1-Ethyl-1H-pyrrole-2-carbaldehyde 1-Ethyl-1H-pyrrole-2-carboxaldehyde 1-ethyl-1H-pyrrole-2-carboxyaldehyde 1-ethyl-2-formyl-1H-pyrrole 1-ethyl-2-formylpyrrole 1H-Pyrrole-2-carboxaldehyde, 1-ethyl- C7H9NO 123.1525 123.068413915 1-ethyl-1H-pyrrole-2-carbaldehyde 1-ethylpyrrole-2-carbaldehyde 2167-14-8 CCN1C=CC=C1C=O InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3 DVLGEHCERRWDIX-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 Organic oxides Organonitrogen compounds Organopnictogen compounds Substituted pyrroles Aromatic heteromonocyclic compound Aryl-aldehyde Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Pyrrole Substituted pyrrole logp 1.13 ALOGPS logs -1.94 ALOGPS solubility 1.41e+00 g/l ALOGPS logp 1.27 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 1-ethyl-1H-pyrrole-2-carbaldehyde ChemAxon average_mass 123.1525 ChemAxon mono_mass 123.068413915 ChemAxon smiles CCN1C=CC=C1C=O ChemAxon formula C7H9NO ChemAxon inchi InChI=1S/C7H9NO/c1-2-8-5-3-4-7(8)6-9/h3-6H,2H2,1H3 ChemAxon inchikey DVLGEHCERRWDIX-UHFFFAOYSA-N ChemAxon polar_surface_area 22 ChemAxon refractivity 36.92 ChemAxon polarizability 13.15 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19729 Specdb::CMs 161092 Specdb::MsIr 7068 Specdb::MsIr 7069 Specdb::MsMs 63033 Specdb::MsMs 63034 Specdb::MsMs 63035 Specdb::MsMs 119901 Specdb::MsMs 119902 Specdb::MsMs 119903 Specdb::MsMs 2432272 Specdb::MsMs 2432273 Specdb::MsMs 2432274 Specdb::MsMs 2503829 Specdb::MsMs 2503830 Specdb::MsMs 2503831 Specdb::NmrOneD 133398 Specdb::NmrOneD 133399 Specdb::NmrOneD 133400 Specdb::NmrOneD 133401 Specdb::NmrOneD 133402 Specdb::NmrOneD 133403 Specdb::NmrOneD 133404 Specdb::NmrOneD 133405 Specdb::NmrOneD 133406 Specdb::NmrOneD 133407 Specdb::NmrOneD 133408 Specdb::NmrOneD 133409 Specdb::NmrOneD 133410 Specdb::NmrOneD 133411 Specdb::NmrOneD 133412 Specdb::NmrOneD 133413 Specdb::NmrOneD 133414 Specdb::NmrOneD 133415 Specdb::NmrOneD 133416 Specdb::NmrOneD 133417 HMDB36058 #<Reference:0x000055ce32498530> burnt roasted