Cas no 54674-60-1 (Bicyclo[3.3.1]non-2-ene-2-carboxylic acid)
![Bicyclo[3.3.1]non-2-ene-2-carboxylic acid structure](https://ossimg.kuujia.com/scimg/55000/54674-60-1x500.png)
54674-60-1 structure
Product Name:Bicyclo[3.3.1]non-2-ene-2-carboxylic acid
CAS No:54674-60-1
MF:C10H14O2
MW:166.216963291168
CID:353954
PubChem ID:71364564
Update Time:2025-04-19
Bicyclo[3.3.1]non-2-ene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.3.1]non-2-ene-2-carboxylic acid
- bicyclo[3.3.1]non-3-ene-4-carboxylic acid
- DTXSID50788028
- 54674-60-1
-
- Inchi： 1S/C10H14O2/c11-10(12)9-5-4-7-2-1-3-8(9)6-7/h5,7-8H,1-4,6H2,(H,11,12)
- InChI Key： VFPLGFPNRHQYEZ-UHFFFAOYSA-N
- SMILES： OC(C1=CCC2CCCC1C2)=O
Computed Properties
- Exact Mass: 166.09942
- Monoisotopic Mass: 166.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 230
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Bicyclo[3.3.1]non-2-ene-2-carboxylic acid Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
54674-60-1 (Bicyclo[3.3.1]non-2-ene-2-carboxylic acid) Related Products
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