70565904 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 6 6 7 7 8 8 9 10 10 11 12 12 12 13 13 4 21 3 4 6 5 7 8 9 14 10 15 11 16 9 17 18 11 19 20 13 22 23 24 25 1 1 1 1 2 1 2 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 1.403 2.269 2.269 1.403 1.403 3.1629 3.1629 0.5369 0.5369 4.069 4.069 2.8024 1.8024 1.403 3.1558 3.1558 0 0 4.6047 4.6047 0.866 3.1124 3.1124 1.4924 1.4924 0.31 1.81 2.81 1.31 3.31 1.2753 3.3447 1.81 2.81 1.7892 2.8308 6.5336 6.5336 3.93 0.6554 3.9646 1.5 3.12 1.4771 3.1429 0 5.9966 7.0705 7.0705 5.9966 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 5 6 7 8 10 3 4 6 5 7 8 9 10 11 9 11 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 133 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0702000000000000000000000000000000000000000306000000000000000C15000001A00000800000C048098003006C000020080022042000002000020200008880006088808262282111280700024C01108980780C0B00E80000100001800000000020000300000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethylene;naphthalen-1-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 ethene;1-naphthalenol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethene;naphthalen-1-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethene;naphthalen-1-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethene;naphthalen-1-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ethylene;1-naphthol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H8O.C2H4/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-2/h1-7,11H;1-2H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HGFLBEOTKBNCSN-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 172.088815002 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H12O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 172.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=C.C1=CC=C2C(=C1)C=CC=C2O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=C.C1=CC=C2C(=C1)C=CC=C2O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 20.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 172.088815002 13 0 0 0 0 0 0 0 2 -1