Cas no 85022-96-4 ()
structure
Product Name:
CAS No:85022-96-4
MF:C4H6O6
MW:150.086842060089
CID:6772888
PubChem ID:18183683
Update Time:2024-03-04
Chemical and Physical Properties
Names and Identifiers
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- Inchi： 1S/C4H6O6/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H,5,6)(H,7,8)
- InChI Key： ZUOSJYIZXTZROD-UHFFFAOYSA-N
- SMILES： O(C(=O)O)CCOC(=O)O
Computed Properties
- Exact Mass: 150.01643791g/mol
- Monoisotopic Mass: 150.01643791g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 10
- Rotatable Bond Count: 5
- Complexity: 114
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 93.1?2
Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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