Cas no 65243-07-4 (Butanoic acid,2-(methoxyimino)-3-oxo-, methyl ester)
65243-07-4 structure
Product Name:Butanoic acid,2-(methoxyimino)-3-oxo-, methyl ester
CAS No:65243-07-4
MF:C6H9NO4
MW:159.139961957932
CID:501482
Update Time:2024-01-30
Butanoic acid,2-(methoxyimino)-3-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,2-(methoxyimino)-3-oxo-, methyl ester
- Methyl 2-methoxyiminoacetoacetate
- Methyl 2-methoxyimino-3-oxobutyrate
- Methyl2-(methoxyimino)acetoacetate
- Butanoic acid, 2-(methoxyimino)-3-oxo-, methyl ester
-
- Inchi： 1S/C6H9NO4/c1-4(8)5(7-11-3)6(9)10-2/h1-3H3
- InChI Key： MGXLNEQONXBEIA-UHFFFAOYSA-N
- SMILES： C(OC)(=O)C(=NOC)C(=O)C
Computed Properties
- Exact Mass: 159.05317
- Monoisotopic Mass: 159.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 197
- 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
- Topological Polar Surface Area: 65A^2
Experimental Properties
- Density: 1.14±0.1 g/cm3(Predicted)
- Boiling Point: 198.0±23.0 °C(Predicted)
- PSA: 64.96
Butanoic acid,2-(methoxyimino)-3-oxo-, methyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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