24402 1 2 3 4 5 6 7 8 9 10 11 12 15 8 8 8 8 7 1 1 1 1 1 1 4 -1 6 1 1 1 1 1 2 3 6 6 6 6 2 3 4 5 7 8 9 10 11 12 1 1 1 2 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 1.403 2.269 0.5369 0.903 1.903 1.403 2.8059 0 1.9399 0.866 1.093 1.713 0.866 1.366 0.366 1.732 0 4.269 1.056 0.676 4.579 3.959 4.8059 3.732 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 49.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 3 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371800238020000000000000000000000000000000000000000000000000000000000000000001008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;dihydrogen phosphate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;dihydrogen phosphate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;dihydrogen phosphate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 azanium;dihydrogen phosphate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 ammonium;dihydrogen phosphate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/H3N.H3O4P/c;1-5(2,3)4/h1H3;(H3,1,2,3,4) InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 LFVGISIMTYGQHF-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 115.003444 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 H6NO4P Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 115.025702 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 [NH4+].OP(=O)(O)[O-] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 [NH4+].OP(=O)(O)[O-] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 81.6 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 115.003444 6 0 0 0 0 0 0 0 2 1