Cas no 924-53-8 (Acetic acid, oxo-, 1-methylethyl ester)
924-53-8 structure
Product Name:Acetic acid, oxo-, 1-methylethyl ester
Acetic acid, oxo-, 1-methylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, oxo-, 1-methylethyl ester
- propan-2-yl 2-oxoacetate
- KIFFSTLDKYVBBI-UHFFFAOYSA-N
- DTXSID50448271
- ISOPROPYL 2-OXOACETATE
- ISOPROPYL2-OXOACETATE
- SCHEMBL1089272
- isopropyl glyoxylate
- 924-53-8
- AKOS017515551
-
- Inchi: 1S/C5H8O3/c1-4(2)8-5(7)3-6/h3-4H,1-2H3
- InChI Key: KIFFSTLDKYVBBI-UHFFFAOYSA-N
- SMILES: O(C(C=O)=O)C(C)C
Computed Properties
- Exact Mass: 116.047344113g/mol
- 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: 95.8
- 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: 0.8
- Topological Polar Surface Area: 43.4?2
Acetic acid, oxo-, 1-methylethyl ester Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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