Cas no 42711-76-2 (Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro-)
![Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro- structure](https://ossimg.kuujia.com/scimg/43000/42711-76-2x500.png)
42711-76-2 structure
Product Name:Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro-
CAS No:42711-76-2
MF:C11H15NO4
MW:225.241103410721
CID:329465
PubChem ID:39239
Update Time:2025-04-19
Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro-
- 3-nitroadamantane-1-carboxylic acid
- AKOS001749629
- SR-01000091857
- 3-nitro-1-adamantanecarboxylic acid
- 1-carboxy-3-nitroadamantane
- VSRRAGQUKPLYMV-UHFFFAOYSA-N
- BRN 2657260
- 42711-76-2
- 3-ADAMANTANECARBOXYLIC ACID, 1-NITRO-
- A825988
- SR-01000091857-1
- SCHEMBL5608271
- CS-0366035
- DTXSID00962639
- NCGC00336867-01
- AB01329802-02
- 1-Nitro-3-adamantanecarboxylic acid
-
- Inchi： 1S/C11H15NO4/c13-9(14)10-2-7-1-8(3-10)5-11(4-7,6-10)12(15)16/h7-8H,1-6H2,(H,13,14)
- InChI Key： VSRRAGQUKPLYMV-UHFFFAOYSA-N
- SMILES： OC(C12CC3CC(CC(C3)(C1)[N+](=O)[O-])C2)=O
Computed Properties
- Exact Mass: 225.100108
- Monoisotopic Mass: 225.100108
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 359
- 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
- Topological Polar Surface Area: 83.1
- XLogP3: 1.4
Experimental Properties
- Density: 1.38
- Boiling Point: 394°C at 760 mmHg
- Flash Point: 171.2°C
- Refractive Index: 1.583
Tricyclo[3.3.1.13,7]decane-1-carboxylicacid, 3-nitro- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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