70452139 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 8 8 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 3 4 4 4 5 6 6 7 8 8 9 9 9 10 10 11 11 13 13 14 14 5 6 12 24 4 5 8 7 15 16 10 7 9 17 11 18 13 19 20 12 21 12 22 14 23 25 26 1 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 1 1 1 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 19 20 21 22 23 24 25 26 5.4641 8.9942 6.3301 5.4641 6.3301 4.5981 4.5981 7.2241 3.732 7.2241 8.1301 8.1301 2.866 2 5.8626 5.0656 4.0611 7.2169 3.3335 4.1306 7.2169 8.6659 2.866 9.5323 1.4631 2 -1 -1.0241 0.5 1 -0.5 -0.5 0.5 1.0347 -1 -1.0347 0.5208 -0.5208 -0.5 -1 1.475 1.475 0.81 1.6546 -1.475 -1.475 -1.6546 0.8329 0.12 -0.7162 -0.69 -1.62 8 8 8 8 8 8 3 3 5 8 10 11 5 8 10 11 12 12 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 245 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371C0703000000000000000000000000000000000000000304000000000000000810000001A00000800000C048098003006800006008002204200000208002020000888000608880C272286311A827820A5C01508B80780E0AC0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 2-allyl-4H-chromen-7-ol IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 2-prop-2-enyl-4H-1-benzopyran-7-ol IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 2-prop-2-enyl-4H-chromen-7-ol IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 2-prop-2-enyl-4H-chromen-7-ol IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 2-allyl-4H-chromen-7-ol InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C12H12O2/c1-2-3-11-7-5-9-4-6-10(13)8-12(9)14-11/h2,4,6-8,13H,1,3,5H2 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 GGNMNPRCOMWNEB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2012.11.26 3 Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 188.08373 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C12H12O2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 188.22248 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C=CCC1=CCC2=C(O1)C=C(C=C2)O SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C=CCC1=CCC2=C(O1)C=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 29.5 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 188.08373 14 0 0 0 0 0 0 0 1 3