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5-Geraniloksi-7-metoksikumarin
Identifikacija
CAS registarski broj 7380-39-4 Y
PubChem [1] [2] 6441377
ChemSpider [3] 4945553 Y
Jmol -3D slikeSlika 1
COc1cc(OC\C=C(/C)\CCC=C(C)C)c2C=CC(=O)Oc2c1
InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+ Y Y
InChI=1/C20H24O4/c1-14(2)6-5-7-15(3)10-11-23-18-12-16(22-4)13-19-17(18)8-9-20(21)24-19/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+
Svojstva
Molekulska formula C20 H24 O4
Molarna masa 328.4 g mol−1
standardno stanje (25 °C, 100 kPa) materijala
Infobox references
5-Geraniloksi-7-metoksikumarin je organsko jedinjenje , koje sadrži 20 atoma ugljenika i ima molekulsku masu od 328,402 Da
↑ Li Q, Cheng T, Wang Y, Bryant SH (2010). "PubChem as a public resource for drug discovery." . Drug Discov Today 15 (23-24): 1052–7. doi :10.1016/j.drudis.2010.10.003 . PMID 20970519 . edit ↑ Evan E. Bolton, Yanli Wang, Paul A. Thiessen, Stephen H. Bryant (2008). "Chapter 12 PubChem: Integrated Platform of Small Molecules and Biological Activities". Annual Reports in Computational Chemistry 4 : 217–241. doi :10.1016/S1574-1400(08)00012-1 . ↑ Hettne KM, Williams AJ, van Mulligen EM, Kleinjans J, Tkachenko V, Kors JA. (2010). "Automatic vs. manual curation of a multi-source chemical dictionary: the impact on text mining" . J Cheminform 2 (1): 3. doi :10.1186/1758-2946-2-3 . PMID 20331846 . edit ↑ Ghose, A.K., Viswanadhan V.N., and Wendoloski, J.J. (1998). "Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragment Methods: An Analysis of AlogP and CLogP Methods" . J. Phys. Chem. A 102 : 3762–3772. doi :10.1021/jp980230o . ↑ Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. (2001). "Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices" . Chem Inf. Comput. Sci. 41 : 1488–1493. doi :10.1021/ci000392t . PMID 11749573 . ↑ Ertl P., Rohde B., Selzer P. (2000). "Fast calculation of molecular polar surface area as a sum of fragment based contributions and its application to the prediction of drug transport properties" . J. Med. Chem. 43 : 3714–3717. doi :10.1021/jm000942e . PMID 11020286 .
