Cas no 5470-67-7 (Hexanoic acid, 4-nitro-)
Hexanoic acid, 4-nitro- structure
Product Name:Hexanoic acid, 4-nitro-
CAS No:5470-67-7
MF:C6H11NO4
MW:161.155842065811
CID:380636
PubChem ID:231543
Update Time:2025-04-19
Hexanoic acid, 4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 4-nitro-
- 4-nitrohexanoic acid
- 4-nitro-hexanoic acid
- 4-Nitro-hexansaeure
- AC1L5LXE
- AC1Q1WOQ
- AR-1G3979
- CTK1H4164
- NSC27965
- NSC 27965
- SCHEMBL8371518
- NSC-27965
- DTXSID90282777
- 5470-67-7
-
- Inchi： 1S/C6H11NO4/c1-2-5(7(10)11)3-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)
- InChI Key： QKOABJZSJDIUKW-UHFFFAOYSA-N
- SMILES： [O-][N+](C(CC)CCC(=O)O)=O
Computed Properties
- Exact Mass: 161.06883
- Monoisotopic Mass: 161.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 151
- 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: 0.8
- Topological Polar Surface Area: 83.1?2
Experimental Properties
- Density: 1.19
- Boiling Point: 315.6°C at 760 mmHg
- Flash Point: 142.4°C
- Refractive Index: 1.464
- PSA: 80.44
- LogP: 1.42970
Hexanoic acid, 4-nitro- Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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