Cas no 31500-38-6 (2-ethyl-3a,4,7,7a-tetrahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione)
31500-38-6 structure
Product Name:2-ethyl-3a,4,7,7a-tetrahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione
CAS No:31500-38-6
MF:C11H13NO2
MW:191.226423025131
CID:307080
PubChem ID:98022
Update Time:2025-04-19
2-ethyl-3a,4,7,7a-tetrahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione Chemical and Physical Properties
Names and Identifiers
-
- 2-ethyl-3a,4,7,7a-tetrahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione
- 4,7-Methano-1H-isoindole-1,3(2H)-dione,2-ethyl-3a,4,7,7a-tetrahydro-
- NSC 68810
- cis-3,6-Endomethylene-1,2,3,6-tetrahydrophthalic acid N-ethylimide
- cis-endo-N-Ethyl-5-norbornene-2,3-dicarboximide
- NSC-68810
- SCHEMBL522134
- 31500-38-6
- 2-ethyl-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindole-1,3(2h)-dione
- 5-Norbornene-2,3-dicarboximide, N-ethyl-, (Z)-endo-
- AKOS027475509
- NSC68810
- 4-ethyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
- DTXSID90953490
-
- Inchi: 1S/C11H13NO2/c1-2-12-10(13)8-6-3-4-7(5-6)9(8)11(12)14/h3-4,6-9H,2,5H2,1H3
- InChI Key: HDNAENGLYCLHFK-UHFFFAOYSA-N
- SMILES: O=C1C2C3C=CC(C3)C2C(N1CC)=O
Computed Properties
- Exact Mass: 191.09500
- Monoisotopic Mass: 191.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 317
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38000
- LogP: 0.75130
2-ethyl-3a,4,7,7a-tetrahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
31500-38-6 (2-ethyl-3a,4,7,7a-tetrahydro-4,7-Methano-1H-isoindole-1,3(2H)-dione) Related Products
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