Cas no 406947-31-7 (Bicyclo[2.2.2]octane-1-carboxylicacid, 3-nitro-)
![Bicyclo[2.2.2]octane-1-carboxylicacid, 3-nitro- structure](https://ossimg.kuujia.com/scimg/407000/406947-31-7x500.png)
406947-31-7 structure
Product Name:Bicyclo[2.2.2]octane-1-carboxylicacid, 3-nitro-
CAS No:406947-31-7
MF:C9H13NO4
MW:199.203822851181
CID:326141
PubChem ID:45089503
Update Time:2025-04-19
Bicyclo[2.2.2]octane-1-carboxylicacid, 3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[2.2.2]octane-1-carboxylicacid, 3-nitro-
- 2-nitrobicyclo[2.2.2]octane-4-carboxylic acid
- Bicyclo[2.2.2]octane-1-carboxylic acid, 3-nitro- (9CI)
- 406947-31-7
- 3-Nitrobicyclo[2.2.2]octane-1-carboxylic acid
- DTXSID40666482
-
- Inchi： 1S/C9H13NO4/c11-8(12)9-3-1-6(2-4-9)7(5-9)10(13)14/h6-7H,1-5H2,(H,11,12)
- InChI Key： FHLOPWOQPJPYBO-UHFFFAOYSA-N
- SMILES： OC(C12CCC(CC1)C(C2)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 199.084
- Monoisotopic Mass: 199.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 275
- 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
- Topological Polar Surface Area: 83.1A^2
- XLogP3: 1
Bicyclo[2.2.2]octane-1-carboxylicacid, 3-nitro- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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