8467 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 8 8 8 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 5 5 6 7 7 8 8 8 9 9 10 11 11 11 12 4 8 6 22 12 5 6 7 13 9 10 12 11 14 15 10 16 17 18 19 20 21 1 1 1 1 2 1 2 2 1 1 1 1 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 13 14 15 16 17 18 19 20 21 22 4.269 2.5369 6.001 4.269 5.135 3.403 5.135 5.135 3.403 4.269 5.135 6.001 5.672 5.3471 5.7456 2.866 4.269 5.755 5.135 4.515 6.538 2 1.25 0.25 -2.75 0.25 -0.25 -0.25 -1.25 1.75 -1.25 -1.75 2.75 -1.75 0.06 1.1674 1.8577 -1.56 -2.37 2.75 3.37 2.75 -1.44 -0.06 8 8 8 8 8 8 4 4 5 6 7 9 5 6 7 9 10 10 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.384 Cactvs xemistry.com 2011.09.13 147 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.384 Cactvs xemistry.com 2011.09.13 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.384 Cactvs xemistry.com 2011.09.13 1 Count Rotatable Bond 5 E_NROTBONDS 3.384 Cactvs xemistry.com 2011.09.13 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.384 Cactvs xemistry.com 2011.09.13 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000C04A098023206800006008802285280000208002420000888010688C80D263286351A827923A4C0110BB9878ACC10CE20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.0.2 LexiChem openeye.com 2011.09.13 3-ethoxy-4-hydroxy-benzaldehyde IUPAC Name CAS-like Style 1 2.0.2 LexiChem openeye.com 2011.09.13 3-ethoxy-4-hydroxybenzaldehyde IUPAC Name Preferred 1 2.0.2 LexiChem openeye.com 2011.09.13 3-ethoxy-4-hydroxybenzaldehyde IUPAC Name Systematic 1 2.0.2 LexiChem openeye.com 2011.09.13 3-ethoxy-4-oxidanyl-benzaldehyde IUPAC Name Traditional 1 2.0.2 LexiChem openeye.com 2011.09.13 3-ethoxy-4-hydroxy-benzaldehyde InChI Standard 1 1.0.3 InChI nist.gov 2011.09.13 InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 InChIKey Standard 1 1.0.3 InChI nist.gov 2011.09.13 CBOQJANXLMLOSS-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2011.09.13 1.6 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 166.062994 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 C9H10O3 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 166.1739 SMILES Canonical 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC1=C(C=CC(=C1)C=O)O SMILES Isomeric 1 1.7.4 OEChem openeye.com 2011.09.13 CCOC1=C(C=CC(=C1)C=O)O Topological Polar Surface Area 7 E_TPSA 3.384 Cactvs xemistry.com 2011.09.13 46.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2011.09.13 166.062994 12 0 0 0 0 0 0 0 1 5