151398 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 8 8 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 6 6 7 8 9 9 10 10 5 15 7 16 4 6 9 5 11 7 8 12 8 13 10 14 17 18 1 1 1 1 2 1 1 1 1 2 2 1 1 1 2 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 4.269 2.5369 5.135 5.135 4.269 4.269 3.403 3.403 6.001 6.001 5.672 4.269 2.866 6.538 4.8059 2 5.4641 6.538 1.845 0.845 -0.655 0.345 0.845 -1.155 0.345 -0.655 -1.155 -2.155 0.655 -1.775 -0.965 -0.845 2.155 0.535 -2.465 -2.465 8 8 8 8 8 8 3 3 4 5 6 7 4 6 5 7 8 8 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.396 Cactvs xemistry.com 2012.02.08 122 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.396 Cactvs xemistry.com 2012.02.08 2 Count Rotatable Bond 5 E_NROTBONDS 3.396 Cactvs xemistry.com 2012.02.08 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.396 Cactvs xemistry.com 2012.02.08 00000371C0703000000000000000000000000000000000000000300000000000000000010000001A00000800000C0480980030068000020080022042000002000020200008880006888809262282111280700124C01109980780C0100E20000100000040004000020000008000000000000000 IUPAC Name Allowed 1 2.1.0 LexiChem openeye.com 2012.02.08 4-vinylbenzene-1,2-diol IUPAC Name CAS-like Style 1 2.1.0 LexiChem openeye.com 2012.02.08 4-ethenylbenzene-1,2-diol IUPAC Name Preferred 1 2.1.0 LexiChem openeye.com 2012.02.08 4-ethenylbenzene-1,2-diol IUPAC Name Systematic 1 2.1.0 LexiChem openeye.com 2012.02.08 4-ethenylbenzene-1,2-diol IUPAC Name Traditional 1 2.1.0 LexiChem openeye.com 2012.02.08 4-vinylpyrocatechol InChI Standard 1 1.0.4 InChI iupac.org 2012.02.08 InChI=1S/C8H8O2/c1-2-6-3-4-7(9)8(10)5-6/h2-5,9-10H,1H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.02.08 FBTSUTGMWBDAAC-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2012.02.08 2 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 136.052429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 C8H8O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 136.14792 SMILES Canonical 1 1.7.6 OEChem openeye.com 2012.02.08 C=CC1=CC(=C(C=C1)O)O SMILES Isomeric 1 1.7.6 OEChem openeye.com 2012.02.08 C=CC1=CC(=C(C=C1)O)O Topological Polar Surface Area 7 E_TPSA 3.396 Cactvs xemistry.com 2012.02.08 40.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.02.08 136.052429 10 0 0 0 0 0 0 0 1 13