Cas no 62702-28-7 (Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)-)
![Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)- structure](https://ossimg.kuujia.com/scimg/63000/62702-28-7x500.png)
62702-28-7 structure
Product Name:Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)-
CAS No:62702-28-7
MF:C17H22O2
MW:258.355385303497
CID:434715
PubChem ID:71383683
Update Time:2025-04-19
Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)-
- 5-(4-methylphenyl)bicyclo[3.3.1]nonane-9-carboxylic acid
- DTXSID10805982
- 1-(4-Methylphenyl)bicyclo[3.3.1]nonane-9-carboxylic acid
- 62702-28-7
-
- Inchi： 1S/C17H22O2/c1-12-6-8-14(9-7-12)17-10-2-4-13(5-3-11-17)15(17)16(18)19/h6-9,13,15H,2-5,10-11H2,1H3,(H,18,19)
- InChI Key： TYMHOSAJQOHJJB-UHFFFAOYSA-N
- SMILES： OC(C1C2CCCC1(C1C=CC(C)=CC=1)CCC2)=O
Computed Properties
- Exact Mass: 258.16206
- Monoisotopic Mass: 258.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 4.9
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
62702-28-7 (Bicyclo[3.3.1]nonane-9-carboxylic acid, 1-(4-methylphenyl)-) Related Products
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