Cas no 83483-17-4 (Methyl 2-nitro-5-oxohexanoate)
Methyl 2-nitro-5-oxohexanoate structure
Product Name:Methyl 2-nitro-5-oxohexanoate
CAS No:83483-17-4
MF:C7H11NO5
MW:189.165942430496
CID:2804479
PubChem ID:12794310
Update Time:2025-04-21
Methyl 2-nitro-5-oxohexanoate Chemical and Physical Properties
Names and Identifiers
-
- METHYL 2-NITRO-5-OXOHEXANOATE
- DTXCID40460881
- 83483-17-4
- SCHEMBL5319004
- DTXSID60510074
- Methyl 2-nitro-5-oxohexanoate
-
- Inchi： 1S/C7H11NO5/c1-5(9)3-4-6(8(11)12)7(10)13-2/h6H,3-4H2,1-2H3
- InChI Key： UEGDXIKRFJPLBN-UHFFFAOYSA-N
- SMILES： O(C)C(C(CCC(C)=O)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 189.06372245Da
- Monoisotopic Mass: 189.06372245Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 219
- 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: 0.2
- Topological Polar Surface Area: 89.2?2
Methyl 2-nitro-5-oxohexanoate Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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