18704338 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 8 8 7 6 6 1 1 1 1 1 1 1 1 1 1 3 1 1 1 2 2 3 3 3 3 4 4 4 5 5 4 10 5 11 12 13 14 15 5 6 7 8 9 1 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 15 0.5369 3.135 1.836 1.403 2.269 1.0044 1.8015 2.6675 1.8705 0 3.672 2.3729 1.299 1.526 2.146 0.9749 0.4749 3.9868 0.4749 0.9749 0 0 1.4499 1.4499 0.6649 0.7849 4.2968 3.6768 4.5238 3.4499 1 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0423000000000000000000000000000000000000000000000000000000000000000001A00100800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonium;ethylene glycol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonium;ethane-1,2-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 azanium;ethane-1,2-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 azanium;ethane-1,2-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 azanium;ethane-1,2-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 ammonium;ethylene glycol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C2H6O2.H3N/c3-1-2-4;/h3-4H,1-2H2;1H3/p+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XRURWBKRKZLENR-UHFFFAOYSA-O Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 80.071153562 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C2H10NO2+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 80.11 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.[NH4+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.[NH4+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 80.071153562 5 0 0 0 0 0 0 0 2 -1