Cas no 154741-31-8 (2,3-Butanedione,1-methoxy-)
2,3-Butanedione,1-methoxy- structure
Product Name:2,3-Butanedione,1-methoxy-
CAS No:154741-31-8
MF:C5H8O3
MW:116.115221977234
CID:106694
PubChem ID:23349319
Update Time:2025-04-18
2,3-Butanedione,1-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Butanedione,1-methoxy-
- 2,3-Butanedione, 1-methoxy- (9CI)
- 1-Methoxybutane-2,3-dione
- 154741-31-8
- SCHEMBL11476490
-
- Inchi： 1S/C5H8O3/c1-4(6)5(7)3-8-2/h3H2,1-2H3
- InChI Key： AZDRNBKNCWPLMM-UHFFFAOYSA-N
- SMILES： O(C)CC(C(C)=O)=O
Computed Properties
- Exact Mass: 116.04734
- Monoisotopic Mass: 116.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 106
- 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: -0.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2,3-Butanedione,1-methoxy- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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