1.0 2016-05-19 04:45:44 UTC 2026-08-18 21:31:18 UTC 1H-Benz[de]isoquinoline-1,3(2H)-dione SmallMolecule 1H-Benz[de]isoquinoline-1,3(2H)-dione is an organic compound with the chemical formula C12H7NO2 and an average molecular weight of 197.19 g/mol. 1H-Benz[de]isoquinoline-1,3(2H)-dione belongs to the isoquinolones and derivatives, a subclass of isoquinolines and derivatives within the organic compounds. The compound has been identified in or released from 14 recorded sources. These include drinking water and water supply, specifically drinking water, as well as various types of electrical and electronic equipment. The specific electronic sources include antennas, amplifiers, communication cables or conductors, discharge lamps, and discharge tubes with liquid pool cathodes, among eight additional sources. Regarding human or environmental contact, the recorded exposure route for this substance is oral. 1H-Benzo[de]isoquinoline-1,3(2H)-dione 3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione naphthalene-1,8-dicarboximide C12H7NO2 197.1895 197.047678473 4-hydroxy-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5,7,9(13),10-hexaen-2-one 4-hydroxy-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5,7,9(13),10-hexaen-2-one 81-83-4 OC1=NC(=O)C2=CC=CC3=C2C1=CC=C3 InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15) XJHABGPPCLHLLV-UHFFFAOYSA-N Organic compounds Organoheterocyclic compounds Isoquinolines and derivatives Isoquinolones and derivatives Isoquinolones and derivatives Azacyclic compounds Hydrocarbon derivatives N-unsubstituted carboxylic acid imides Naphthalenes Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Aromatic heteropolycyclic compound Azacycle Benzenoid Carboxylic acid derivative Carboxylic acid imide Carboxylic acid imide, n-unsubstituted Hydrocarbon derivative Isoquinolone Naphthalene Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Aromatic heteropolycyclic compounds Detected and Not Quantified logp 1.7 logp 2.03 ALOGPS logs -3.19 ALOGPS solubility 1.27e-01 g/l ALOGPS logp 2.05 ChemAxon pka_strongest_acidic 7.25 ChemAxon pka_strongest_basic -1.9 ChemAxon iupac 4-hydroxy-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5,7,9(13),10-hexaen-2-one ChemAxon average_mass 197.1895 ChemAxon mono_mass 197.047678473 ChemAxon smiles OC1=NC(=O)C2=CC=CC3=C2C1=CC=C3 ChemAxon formula C12H7NO2 ChemAxon inchi InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15) ChemAxon inchikey XJHABGPPCLHLLV-UHFFFAOYSA-N ChemAxon polar_surface_area 49.66 ChemAxon refractivity 56.09 ChemAxon polarizability 19.33 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f3bf0c1de90> 66491 59862