Cas no 675200-66-5 (4-Hydroxy-3-nitropent-3-en-2-one)
675200-66-5 structure
Product Name:4-Hydroxy-3-nitropent-3-en-2-one
CAS No:675200-66-5
MF:C5H7NO4
MW:145.113381624222
CID:2797736
PubChem ID:438908
Update Time:2025-04-21
4-Hydroxy-3-nitropent-3-en-2-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID50331391
- 675200-66-5
- 4-Hydroxy-3-nitropent-3-en-2-one
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- Inchi： 1S/C5H7NO4/c1-3(7)5(4(2)8)6(9)10/h7H,1-2H3
- InChI Key： OKTLCBUXSQVMTF-UHFFFAOYSA-N
- SMILES： OC(C)=C(C(C)=O)[N+](=O)[O-]
Computed Properties
- Exact Mass: 145.03750770Da
- Monoisotopic Mass: 145.03750770Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.8
- Topological Polar Surface Area: 83.1?2
4-Hydroxy-3-nitropent-3-en-2-one Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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