Cas no 89104-95-0 (3(2H)-Isoquinolinone, octahydro-, trans-)
89104-95-0 structure
Product Name:3(2H)-Isoquinolinone, octahydro-, trans-
CAS No:89104-95-0
MF:C9H15NO
MW:153.221502542496
CID:612182
PubChem ID:12630268
Update Time:2025-04-19
3(2H)-Isoquinolinone, octahydro-, trans- Chemical and Physical Properties
Names and Identifiers
-
- 3(2H)-Isoquinolinone, octahydro-, trans-
- (4aS,8aR)-2,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-3-one
- Trans-octahydroisoquinolin-3(2H)-one
- SCHEMBL11206227
- JOLSVXSBWWWNDN-HTQZYQBOSA-N
- 3(2H)-Isoquinolinone, octahydro-, (4ar-trans)-
- 89104-95-0
- Octahydro-3(2H)-isoquinolinone #
-
- 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-HTQZYQBOSA-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-, trans- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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