Cas no 89068-34-8 (1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-)
89068-34-8 structure
Product Name:1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-
CAS No:89068-34-8
MF:C10H15NO2
MW:181.231602907181
CID:613688
PubChem ID:71321897
Update Time:2025-04-19
1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-
- 3a,7a-dimethyl-4,5,6,7-tetrahydroisoindole-1,3-dione
- 3a,7a-Dimethylhexahydro-1H-isoindole-1,3(2H)-dione
- DTXSID20751643
- 89068-34-8
-
- Inchi: 1S/C10H15NO2/c1-9-5-3-4-6-10(9,2)8(13)11-7(9)12/h3-6H2,1-2H3,(H,11,12,13)
- InChI Key: NVSCNSJAMNBQLI-UHFFFAOYSA-N
- SMILES: O=C1C2(C)CCCCC2(C)C(N1)=O
Computed Properties
- Exact Mass: 181.110278721g/mol
- Monoisotopic Mass: 181.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 259
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.3
- Topological Polar Surface Area: 46.2?2
1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl- Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
89068-34-8 (1H-Isoindole-1,3(2H)-dione, hexahydro-3a,7a-dimethyl-) Related Products
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