67900757 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 8 8 8 7 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 2 -1 4 1 1 1 2 3 4 5 5 5 6 7 8 8 9 9 10 11 11 12 12 6 17 4 4 7 6 8 11 7 9 10 13 10 14 15 12 16 18 19 1 1 1 2 1 2 1 1 1 2 2 1 1 1 1 2 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 4.5981 2 2.866 2.866 5.4641 4.5981 3.732 5.4641 3.732 4.5981 6.3301 7.1962 6.001 3.1951 4.5981 6.3301 5.135 7.1962 7.7331 1.345 -0.155 1.345 0.345 -0.155 0.345 -0.155 -1.155 -1.155 -1.655 0.345 -0.155 -1.465 -1.465 -2.275 0.965 1.655 -0.775 0.155 8 8 8 8 8 8 5 5 6 7 8 9 6 8 7 9 10 10 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 187 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 0000037180723000000000000000000000000000000000000000300000000000000000010000001E00040800000C0C81980030C680104200810224424300820000202200288800056C8A0A262292919380700064C05108D80790C0200E00000040000810000000008000102000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-nitro-6-vinyl-phenol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6-nitrophenol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6-nitrophenol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6-nitrophenol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethenyl-6-nitro-phenol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-nitro-6-vinyl-phenol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C8H7NO3/c1-2-6-4-3-5-7(8(6)10)9(11)12/h2-5,10H,1H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XUBHUUIHOAJNNY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 165.042593085 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C8H7NO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 165.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CC1=C(C(=CC=C1)[N+](=O)[O-])O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CC1=C(C(=CC=C1)[N+](=O)[O-])O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 66 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 165.042593085 12 0 0 0 0 0 0 0 1 -1