Cas no 104177-49-3 (Nonanoic acid, 3-(acetylamino)-)
104177-49-3 structure
Product Name:Nonanoic acid, 3-(acetylamino)-
CAS No:104177-49-3
MF:C11H21NO3
MW:215.289343595505
CID:1147588
Update Time:2024-07-26
Nonanoic acid, 3-(acetylamino)- Chemical and Physical Properties
Names and Identifiers
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- Nonanoic acid, 3-(acetylamino)-
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- Inchi： 1S/C11H21NO3/c1-3-4-5-6-7-10(8-11(14)15)12-9(2)13/h10H,3-8H2,1-2H3,(H,12,13)(H,14,15)
- InChI Key： VMIOCPMZZAXBSE-UHFFFAOYSA-N
- SMILES： C(O)(=O)CC(NC(C)=O)CCCCCC
Computed Properties
- Exact Mass: 215.15223
- Monoisotopic Mass: 215.152
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 8
- Complexity: 204
- 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
Experimental Properties
- Density: 1.020±0.06 g/cm3(Predicted)
- Boiling Point: 411.8±28.0 °C(Predicted)
- PSA: 66.4
- pka: 4.31±0.10(Predicted)
Nonanoic acid, 3-(acetylamino)- Related Literature
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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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