Boonein
Identifikacija
ChemSpider [ 1] 10310759 Y
Jmol -3D slike
Slika 1
C[C@H]1[C@@H](O)C[C@@H]2CCOC(=O)[C@H]12
InChI=1S/C9H14O3/c1-5-7(10)4-6-2-3-12-9(11)8(5)6/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m0/s1 Y Y
InChI=1S/C9H14O3/c1-5-7(10)4-6-2-3-12-9(11)8(5)6/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8+/m0/s1
Svojstva
Molekulska formula
C9 H14 O3
Molarna masa
170.21 g mol−1
standardno stanje (25 °C, 100 kPa) materijala
Infobox references
Boonein je organsko jedinjenje , koje sadrži 9 atoma ugljenika i ima molekulsku masu od 170,206 Da
↑ 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 .
