57426921 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 7 6 6 1 1 1 1 1 1 1 1 1 2 -1 3 1 1 1 2 3 3 3 3 4 4 4 5 5 4 10 5 11 12 13 14 5 6 7 8 9 1 1 1 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 2.5981 0 1.5675 1.732 0.866 1.3335 2.1306 1.2646 0.4675 3.135 2.1044 1.0306 1.2575 1.8775 0.9749 0.4749 3.9868 0.4749 0.9749 0 0 1.4499 1.4499 0.6649 4.2968 3.6768 4.5238 3.4499 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C0423000000000000000000000000000000000000000000000000000000000000000001A00100800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;2-hydroxyethanolate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;2-hydroxyethanolate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;2-hydroxyethanolate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;2-oxidanylethanolate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;2-hydroxyethanolate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C2H5O2.H3N/c3-1-2-4;/h3H,1-2H2;1H3/q-1;/p+1 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 BGRZZWRQDZXUOR-UHFFFAOYSA-O Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 79.063329 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C2H9NO2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 79.09836 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C[O-])O.[NH4+] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(C[O-])O.[NH4+] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 44.3 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 79.063329 5 0 0 0 0 0 0 0 2 1