Cas no 62950-21-4 (1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-, cis-)
62950-21-4 structure
Product Name:1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-, cis-
CAS No:62950-21-4
MF:C9H11NO2
MW:165.189142465591
CID:428382
PubChem ID:11030173
Update Time:2025-04-19
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-, cis- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-, cis-
- (3aS,7aR)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
- 62950-21-4
- DTXSID40452488
- SCHEMBL2661927
- (3aR,7aS)-2-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
-
- Inchi： 1S/C9H11NO2/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-3,6-7H,4-5H2,1H3/t6-,7+
- InChI Key： UAFTWHXBZBAYKV-KNVOCYPGSA-N
- SMILES： O=C1[C@@H]2CC=CC[C@@H]2C(N1C)=O
Computed Properties
- Exact Mass: 165.07903
- Monoisotopic Mass: 165.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 244
- 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: 0
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-, cis- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
62950-21-4 (1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-, cis-) Related Products
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