Cas no 51252-31-4 (Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile)
51252-31-4 structure
Product Name:Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile
Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile
- (+-)
- (+-)-(4ar,8at)-1,2,3,4,4a,5,8,8a-octahydro-naphthalene
- (+-)-(4ar,8at)-1,2,3,4,4a,5,8,8a-Octahydro-naphthalin
- (+-)-trans-octahydro-naphthalen-1-one
- (4aR,8aR)-rel-1,2,3,4,4a,5,8,8a-Octahydronaphthalene
- 2,3-dicyanonorbornene
- 5,6-dicyanobicyclo< 2.2.1> hept-2-ene
- trans-2,3-dicyanobicyclo(2.2.1.)-hept-5-ene
- trans-bicyclo[4.4.0]decane-2-one
- trans-bicyclo< 2.2.1> hept-2-ene-5,6-dinitrile
- trans-decalone
- trans-octalin
- 38447-89-1
- NSC57744
- 51252-31-4
- SCHEMBL5349953
- NSC-134898
- DTXSID30959335
- NSC-57744
- NSC134898
-
- Inchi: 1S/C9H8N2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-9H,3H2
- InChI Key: DJNPQHBMESQZIP-UHFFFAOYSA-N
- SMILES: N#CC1C(C#N)C2C=CC1C2
Computed Properties
- Exact Mass: 144.06884
- Monoisotopic Mass: 144.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 268
- 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: 0.7
- Topological Polar Surface Area: 47.6?2
Experimental Properties
- PSA: 47.58
- LogP: 1.47186
Bicyclo[2.2.1]hept-5-ene-2,3-dicarbonitrile Related Literature
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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