70077 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 19 8 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 -1 2 3 3 3 4 4 4 5 5 5 6 6 6 3 4 5 6 7 8 9 10 11 12 13 14 15 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 4.5980763435364 3.7320508956909 2.8660254478455 2 2.3660254478455 3.3660254478455 1.6900000572205 1.4630641937256 2.3099999427795 2.9029612541199 2.0560255050659 1.829089641571 2.829089641571 3.676025390625 3.9029612541199 4.97106696084604e-17 0.5 5.55111512312578e-17 -0.5 0.866025388240814 -0.866025388240814 0.0369357578456402 -0.810000002384186 -1.0369358062744 1.176025390625 1.4029611349106 0.556025385856628 -1.176025390625 -1.4029611349106 -0.556025385856628 0 Compound Canonicalized 5 2007.06.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 25.1 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 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 00000371C0602000004000000000000000000000000000000000000000000000000000000000001A00000000000C448080000200000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;2-methylpropan-2-olate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;2-methyl-2-propanolate IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;2-methylpropan-2-olate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;2-methylpropan-2-olate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;2-methylpropan-2-olate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 potassium;2-methylpropan-2-olate InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LPNYRYFBWFDTMA-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 112.02904639 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C4H9KO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 112.21 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)[O-].[K+] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)(C)[O-].[K+] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 23.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 112.02904639 6 0 0 0 0 0 0 0 2 -1