57127872 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 28 29 30 8 8 8 8 6 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 1 1 2 2 3 3 4 5 5 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 11 12 12 14 14 7 26 8 27 13 30 13 6 9 15 16 11 17 18 8 10 19 12 20 10 21 22 13 23 24 14 25 28 29 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 1 1 7 1 8 10 19 3 1 8 2 7 12 20 3 1 9 5 21 10 7 22 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 28 29 30 8.5991 10.3312 2.5369 3.403 6.001 5.135 8.5991 9.4651 6.8671 7.7331 4.269 9.4651 3.403 10.3312 6.3996 5.6025 4.7365 5.5335 8.0622 10.0021 6.8671 7.7331 4.6675 3.8705 8.9282 8.0622 10.8681 10.8681 10.3312 2 -1.345 -0.345 0.155 -1.345 0.155 -0.345 -0.345 0.155 -0.345 0.155 0.155 1.155 -0.345 1.655 0.6299 0.6299 -0.8199 -0.8199 -0.655 0.465 -0.965 0.775 0.6299 0.6299 1.465 -1.655 -0.035 1.345 2.275 -0.155 3 3 1 7 8 9 1 2 10 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 210 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0703800000000000000000000000000000000000000000000000000000000000000001A00000800000814A08002000800000200880020D2080000000020000008080100000801141200010000500004C0000910028800000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7,8-dihydroxydeca-5,9-dienoic acid IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7,8-dihydroxydeca-5,9-dienoic acid IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7,8-dihydroxydeca-5,9-dienoic acid IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7,8-dihydroxydeca-5,9-dienoic acid IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7,8-bis(oxidanyl)deca-5,9-dienoic acid IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7,8-dihydroxydeca-5,9-dienoic acid InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C10H16O4/c1-2-8(11)9(12)6-4-3-5-7-10(13)14/h2,4,6,8-9,11-12H,1,3,5,7H2,(H,13,14) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JJXVLLJWKRZHBM-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 200.10485899 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C10H16O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 200.23 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C=CC(C(C=CCCCC(=O)O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C=CC(C(C=CCCCC(=O)O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 200.10485899 14 2 0 2 1 0 1 0 1 -1