70551173 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 7 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 6 6 7 7 8 8 9 5 16 17 18 4 14 15 5 6 7 8 10 9 11 9 12 13 1 1 1 1 1 1 1 1 2 2 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 0.5369 1.836 2.269 2.269 1.403 3.135 1.403 3.135 2.269 3.672 0.866 3.672 2.269 2.8059 1.732 0 2.3729 1.299 2.62 5.93 3.62 2.62 2.12 2.12 1.12 1.12 0.62 2.43 0.81 0.81 0 3.93 3.93 2.31 6.24 6.24 8 8 8 8 8 8 4 4 5 6 7 8 5 6 7 8 9 9 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 74.9 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 3 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 00000371C0623000000000000000000000000000000000000000300000000000000000010000001E0010080000080C81900030C680400200800024424000820000202200088800076C880A262292919380700064D01108D8079040000000000000000010000000000000002000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;hydrate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;hydrate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;hydrate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;hydrate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-azanylphenol;hydrate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-aminophenol;hydrate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C6H7NO.H2O/c7-5-3-1-2-4-6(5)8;/h1-4,8H,7H2;1H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QHSLLOPCQBOQAL-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 127.063328530 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H9NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 127.14 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)N)O.O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C(=C1)N)O.O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 47.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 127.063328530 9 0 0 0 0 0 0 0 2 -1