Cas no 94587-97-0 (2-Hydroperoxybutanedioic acid)
2-Hydroperoxybutanedioic acid structure
Product Name:2-Hydroperoxybutanedioic acid
CAS No:94587-97-0
MF:C4H6O6
MW:150.086842060089
CID:2818135
PubChem ID:53431405
Update Time:2025-04-21
2-Hydroperoxybutanedioic acid Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60700337
- 94587-97-0
- 2-Hydroperoxybutanedioic acid
- SCHEMBL1295993
-
- Inchi： 1S/C4H6O6/c5-3(6)1-2(10-9)4(7)8/h2,9H,1H2,(H,5,6)(H,7,8)
- InChI Key： FHBQJITVCUIQDV-UHFFFAOYSA-N
- SMILES： O(C(C(=O)O)CC(=O)O)O
Computed Properties
- Exact Mass: 150.01643791g/mol
- Monoisotopic Mass: 150.01643791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 141
- 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: -1.3
- Topological Polar Surface Area: 104?2
2-Hydroperoxybutanedioic acid Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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