21386739 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 8 8 7 7 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 5 6 6 7 7 7 8 8 9 9 11 11 12 12 13 10 23 10 4 24 25 26 27 6 7 10 14 8 9 15 16 17 11 18 12 19 13 20 13 21 22 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 5 6 7 10 14 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 6.2089 7.0749 0.5369 1.403 5.3429 5.3429 4.4768 4.4768 6.2089 6.2089 4.4768 6.2089 5.3429 5.3429 4.7868 3.9399 4.1668 3.9399 6.7458 3.9399 6.7458 5.3429 6.7458 0 0.5369 1.9399 1.403 5.12 3.62 2.465 2.965 3.62 2.62 4.12 2.12 2.12 4.12 1.12 1.12 0.62 4.24 4.6569 4.43 3.5831 2.43 2.43 0.81 0.81 0 5.43 2.775 1.845 2.655 3.585 3 8 8 8 8 8 8 5 6 6 8 9 11 12 7 8 9 11 12 13 13 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 137 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0733000000000000000000000000000000000000000300000000000000000010000001A00180800000D00809800320880020200880220D2080002000020000208880100008808203280151080600024C00108880788C8E08E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 hydrazine;2-phenylpropanoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 hydrazine;2-phenylpropanoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 hydrazine;2-phenylpropanoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 hydrazine;2-phenylpropanoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 diazane;2-phenylpropanoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 hydratropic acid;hydrazine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C9H10O2.H4N2/c1-7(9(10)11)8-5-3-2-4-6-8;1-2/h2-7H,1H3,(H,10,11);1-2H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YCFGDVQYWBIZSK-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C9H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=C1)C(=O)O.NN SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C1=CC=CC=C1)C(=O)O.NN Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 89.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 182.105527694 13 1 0 1 0 0 0 0 2 -1