Cas no 61259-07-2 (Cyclopentanecarboxylic acid, 1-(cyclohexylcarbonyl)-)
61259-07-2 structure
Product Name:Cyclopentanecarboxylic acid, 1-(cyclohexylcarbonyl)-
CAS No:61259-07-2
MF:C13H20O3
MW:224.296104431152
CID:486842
PubChem ID:71397713
Update Time:2025-04-19
Cyclopentanecarboxylic acid, 1-(cyclohexylcarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclopentanecarboxylic acid, 1-(cyclohexylcarbonyl)-
- 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
- DTXSID30819187
- 61259-07-2
-
- Inchi： 1S/C13H20O3/c14-11(10-6-2-1-3-7-10)13(12(15)16)8-4-5-9-13/h10H,1-9H2,(H,15,16)
- InChI Key： RTYYZDFDYCCEKO-UHFFFAOYSA-N
- SMILES： O=C(C1CCCCC1)C1(C(=O)O)CCCC1
Computed Properties
- Exact Mass: 224.1413
- Monoisotopic Mass: 224.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 284
- 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: 3.2
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
Cyclopentanecarboxylic acid, 1-(cyclohexylcarbonyl)- Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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