Cas no 68938-07-8 (Fatty acids, C9-13-neo-)
Fatty acids, C9-13-neo- structure
Product Name:Fatty acids, C9-13-neo-
CAS No:68938-07-8
MF:C12H24O2
MW:200.317764282227
CID:1733041
PubChem ID:111847
Update Time:2025-04-21
Fatty acids, C9-13-neo- Chemical and Physical Properties
Names and Identifiers
-
- Fatty acids, C9-13-neo-
- C9-C13-Neoacids
- 9,9-dimethyldecanoic acid
- C9-C13-Neoacids; 9,9-dimethyldecanoic acid
- 9,9-di-methylcapric acid
- 68938-07-8
- SCHEMBL320263
- EC 273-114-3
- EINECS 273-114-3
- FZUWYUIYVKESIP-UHFFFAOYSA-N
-
- Inchi： 1S/C12H24O2/c1-12(2,3)10-8-6-4-5-7-9-11(13)14/h4-10H2,1-3H3,(H,13,14)
- InChI Key： FZUWYUIYVKESIP-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCC(C)(C)C)=O
Computed Properties
- Exact Mass: 200.17772
- Monoisotopic Mass: 200.177630004g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 8
- Complexity: 156
- 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: 4.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Fatty acids, C9-13-neo- Related Literature
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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