1.0 2016-09-30 23:20:24 UTC 2020-04-22 15:16:55 UTC BMDB0006215 BMDB06215 Naphthalene epoxide 1,2-Epoxy-1,2-dihydro-naphthalene 1,2-Epoxy-1,2-dihydronaphthalene Naphthalene 1,2-epoxide Naphthalene-1,2-oxide (1R,2S)-Naphthalene 1,2-oxide (1R,2S)-Naphthalene epoxide (1S,2R)-Naphthalene epoxide Naphthalene oxide C10H8O 144.1699 144.057514878 1aH,7bH-naphtho[1,2-b]oxirene naphthalene 1,2-oxide 17180-88-0 O1C2C=CC3=CC=CC=C3C12 InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H XQIJIALOJPIKGX-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthalenes. Naphthalenes are compounds containing a naphthalene moiety, which consists of two fused benzene rings. Organic compounds Benzenoids Naphthalenes Naphthalenes Dialkyl ethers Epoxides Hydrocarbon derivatives Oxacyclic compounds Aromatic heteropolycyclic compound Dialkyl ether Ether Hydrocarbon derivative Naphthalene Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxirane Aromatic heteropolycyclic compounds arene epoxide Solid melting_point 42 - 46 °C logp 1.89 ALOGPS logs -2.71 ALOGPS logp 2.16 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac 1aH,7bH-naphtho[1,2-b]oxirene ChemAxon average_mass 144.1699 ChemAxon mono_mass 144.057514878 ChemAxon smiles O1C2C=CC3=CC=CC=C3C12 ChemAxon formula C10H8O ChemAxon inchi InChI=1S/C10H8O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-6,9-10H ChemAxon inchikey XQIJIALOJPIKGX-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 43.87 ChemAxon polarizability 15.26 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2377 Specdb::CMs 23077 Specdb::CMs 158844 Specdb::MsMs 82839 Specdb::MsMs 82840 Specdb::MsMs 82841 Specdb::MsMs 144309 Specdb::MsMs 144310 Specdb::MsMs 144311 Specdb::MsMs 2267762 Specdb::MsMs 2267763 Specdb::MsMs 2267764 Specdb::MsMs 3071880 Specdb::MsMs 3071881 Specdb::MsMs 3071882 Specdb::NmrOneD 258968 Specdb::NmrOneD 258969 Specdb::NmrOneD 258970 Specdb::NmrOneD 258971 Specdb::NmrOneD 258972 Specdb::NmrOneD 258973 Specdb::NmrOneD 258974 Specdb::NmrOneD 258975 Specdb::NmrOneD 258976 Specdb::NmrOneD 258977 Specdb::NmrOneD 258978 Specdb::NmrOneD 258979 Specdb::NmrOneD 258980 Specdb::NmrOneD 258981 Specdb::NmrOneD 258982 Specdb::NmrOneD 258983 Specdb::NmrOneD 258984 Specdb::NmrOneD 258985 Specdb::NmrOneD 258986 Specdb::NmrOneD 258987 FDB023839 97165 108063 52431 CPD-20311 2299951 Benzo(a)pyrene Vogel, E.; Klaerner, F. G. 1,2-Naphthalene oxide. Angewandte Chemie, International Edition in English (1968), 7(5), 374-5.