Cas no 89104-93-8 (3(2H)-Isoquinolinone, octahydro-, cis-)
89104-93-8 structure
Product Name:3(2H)-Isoquinolinone, octahydro-, cis-
CAS No:89104-93-8
MF:C9H15NO
MW:153.221502542496
CID:612184
PubChem ID:12630269
Update Time:2025-04-19
3(2H)-Isoquinolinone, octahydro-, cis- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isoquinolinone, octahydro-, cis-
- Cis-octahydroisoquinolin-3(2H)-one
- SCHEMBL11206101
- 89104-93-8
-
- Inchi： 1S/C9H15NO/c11-9-5-7-3-1-2-4-8(7)6-10-9/h7-8H,1-6H2,(H,10,11)/t7-,8+/m1/s1
- InChI Key： JOLSVXSBWWWNDN-SFYZADRCSA-N
- SMILES： O=C1C[C@H]2CCCC[C@H]2CN1
Computed Properties
- Exact Mass: 153.115364102g/mol
- Monoisotopic Mass: 153.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 167
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 29.1?2
3(2H)-Isoquinolinone, octahydro-, cis- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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