Cas no 72764-27-3 (Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester)
![Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester structure](https://ossimg.kuujia.com/scimg/73000/72764-27-3x500.png)
72764-27-3 structure
Product Name:Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester
CAS No:72764-27-3
MF:C12H17NO2
MW:207.268883466721
CID:543460
PubChem ID:4438994
Update Time:2025-04-19
Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester
- ethyl 3-cyanobicyclo[2.2.2]octane-4-carboxylate
- DTXSID80403313
- AC1NB7WB
- 72764-27-3
-
- Inchi： 1S/C12H17NO2/c1-2-15-11(14)12-5-3-9(4-6-12)7-10(12)8-13/h9-10H,2-7H2,1H3
- InChI Key： FFZYQOLZQAOCCX-UHFFFAOYSA-N
- SMILES： O(CC)C(C12CCC(CC1)CC2C#N)=O
Computed Properties
- Exact Mass: 207.12601
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 50.1?2
Experimental Properties
- PSA: 50.09
Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
72764-27-3 (Bicyclo[2.2.2]octane-1-carboxylic acid, 2-cyano-, ethyl ester) Related Products
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