Cas no 63485-40-5 (1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-)
63485-40-5 structure
Product Name:1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-
CAS No:63485-40-5
MF:C9H13NO2
MW:167.205022573471
CID:426282
PubChem ID:4370349
Update Time:2025-04-19
1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-
- 5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
- 5-METHYL-HEXAHYDRO-ISOINDOLE-1,3-DIONE
- DTXSID50402494
- AGN-PC-0HFW73
- AKOS002911940
- SCHEMBL1683343
- 63485-40-5
- 5-methyl-hexahydro-isoindole-1
-
- Inchi： 1S/C9H13NO2/c1-5-2-3-6-7(4-5)9(12)10-8(6)11/h5-7H,2-4H2,1H3,(H,10,11,12)
- InChI Key： YUNIXGFUHWNUIZ-UHFFFAOYSA-N
- SMILES： O=C1C2CC(C)CCC2C(N1)=O
Computed Properties
- Exact Mass: 167.09469
- Monoisotopic Mass: 167.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 237
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
63485-40-5 (1H-Isoindole-1,3(2H)-dione, hexahydro-5-methyl-) Related Products
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