21642823 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 8 8 8 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 4 18 6 19 7 20 5 6 7 8 9 10 11 12 13 14 15 16 17 1 1 1 1 1 1 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 16 17 18 19 20 3.769 6.001 2.5369 4.269 4.769 5.135 3.403 4.269 5.2439 5.2439 5.5335 4.7365 3.0044 3.8015 3.732 3.959 4.8059 4.079 6.538 2 1.0306 0.1645 0.1645 0.1645 -0.7015 0.6645 -0.3355 -1.5675 -1.1 -0.303 1.1395 1.1395 -0.8104 -0.8104 -1.2575 -2.1044 -1.8775 1.5675 0.4745 -0.1455 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.7 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0603000000000000000000000000000000000000000000000000000000000000000001A00000800000C44A080020200000002000000000000000000000000000000000000000110000000000040000500000100000000000800000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylpropane-1,2,3-triol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylpropane-1,2,3-triol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylpropane-1,2,3-triol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylpropane-1,2,3-triol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylpropane-1,2,3-triol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-ethylpropane-1,2,3-triol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C5H12O3/c1-2-5(8,3-6)4-7/h6-8H,2-4H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PDAZMXUHGPNZOU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 -1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 120.078644241 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C5H12O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 120.15 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(CO)(CO)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC(CO)(CO)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 60.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 120.078644241 8 0 0 0 0 0 0 0 1 -1