Cas no 5873-56-3 (Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid)
![Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid structure](https://ossimg.kuujia.com/scimg/6000/5873-56-3x500.png)
5873-56-3 structure
Product Name:Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid
CAS No:5873-56-3
MF:C12H10O2
MW:186.206603527069
CID:341087
PubChem ID:12564640
Update Time:2025-04-19
Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid
- bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-7-carboxylic acid
- Bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaene-2-carboxylic acid
- AKOS024321820
- DTXSID50502721
- 5873-56-3
-
- Inchi： 1S/C12H10O2/c13-12(14)11-7-3-5-9-4-1-2-6-10(11)8-9/h1-7H,8H2,(H,13,14)
- InChI Key： KHZSESRUBOAZIX-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CC2=CC=CC=C1C2)=O
Computed Properties
- Exact Mass: 186.0681
- Monoisotopic Mass: 186.068079557g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 212
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Bicyclo[4.4.1]undeca-1,3,5,7,9-pentaene-2-carboxylic acid Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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