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 6.0682 2.5381 5.2022 6.0682 5.2022 6.9343 6.9343 4.3083 7.8003 4.3083 3.4022 3.4022 8.6663 9.5323 6.4668 5.6697 7.4712 4.3154 7.4018 8.1988 4.3154 2.8665 8.6663 2 9.5323 10.0693 -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 -1.62 -0.69 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 3.4.6.11 Cactvs xemistry.com 2019.06.18 245 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 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 00000371C0703000000000000000000000000000000000000000304000000000000000810000001A00000800000C048098003006800006008002204200000208002020000888000608880C272286311A827820A5C01508B80780E0AC0E20000008000800004000001000100000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-allyl-4H-chromen-7-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-prop-2-enyl-4H-1-benzopyran-7-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-prop-2-enyl-4<I>H</I>-chromen-7-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-prop-2-enyl-4H-chromen-7-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-prop-2-enyl-4H-chromen-7-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-allyl-4H-chromen-7-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 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 1.0.5 InChI iupac.org 2019.06.18 GGNMNPRCOMWNEB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.083729621 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C12H12O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.22 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCC1=CCC2=C(O1)C=C(C=C2)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CCC1=CCC2=C(O1)C=C(C=C2)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 29.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 188.083729621 14 0 0 0 0 0 0 0 1 -1