57358748 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 26 27 8 6 6 6 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 4 4 5 5 6 7 7 8 9 9 10 10 11 11 12 12 13 14 14 15 15 16 14 3 6 7 8 9 5 6 11 8 12 17 10 14 18 13 19 13 20 15 21 16 22 23 24 25 16 26 27 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 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 26 27 7.2746 5.5321 5.5321 3.8 3.8 4.666 6.426 4.666 6.426 7.3321 2.9061 2.9061 7.3321 6.4144 2 2 4.666 4.666 6.4188 7.8678 2.9132 2.9132 7.8678 6.1957 5.8051 1.4643 1.4643 1.7896 -0.255 -1.255 -0.255 -1.255 0.245 0.2797 -1.755 -1.7896 -0.2341 0.2797 -1.7896 -1.2758 1.2796 -0.2341 -1.2758 0.865 -2.375 -2.4096 0.0779 0.8997 -2.4096 -1.5878 1.8598 1.1649 0.0779 -1.5878 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 2 3 3 4 4 4 5 5 7 9 10 11 12 15 3 6 7 8 9 5 6 11 8 12 10 13 13 15 16 16 -1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 238 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07020000000000000000000000000000000000000003060C0000000000000C15400001A00000000000C00A098023000C000000080022042000002000020000008880000088808262280111080300024C00108880780C0F00EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-anthrylmethanolate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-anthracenylmethanolate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 anthracen-1-ylmethanolate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 anthracen-1-ylmethanolate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 anthracen-1-ylmethanolate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-anthrylmethanolate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H11O/c16-10-14-7-3-6-13-8-11-4-1-2-5-12(11)9-15(13)14/h1-9H,10H2/q-1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RHZUVFJBSILHOK-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.080989970 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H11O- Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.25 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C[O-] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C[O-] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 23.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 207.080989970 16 0 0 0 0 0 0 0 1 -1