71304605 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 11 8 8 8 7 6 6 6 1 1 1 1 1 1 1 1 2 2 2 3 3 4 5 5 5 6 6 6 8 8 7 8 8 15 7 6 13 14 7 9 10 11 12 1 1 1 1 2 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 2.452 3.135 4.8671 2.269 0.5369 1.403 2.269 4.001 1.8015 1.0044 3.6025 4.3996 0 0.5369 5.404 0 4 4 2.5 3.5 4 3.5 3.5 4.475 4.475 3.025 3.025 3.81 2.88 3.69 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 63.2 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 0000037180423020000000000000000000000000000000000000000000000000000000000000001E00100800000000C180070008004006000800009008000000000000000000808000001210000000000100000000000400000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C3H7NO3.Na/c4-1-3(6)7-2-5;/h5H,1-2,4H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FAFTYMCBARJPRR-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 128.03236237 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C3H7NNaO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 128.08 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)OCO)N.[Na] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(C(=O)OCO)N.[Na] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 72.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 128.03236237 8 0 0 0 0 0 0 0 2 -1