Cas no 88347-72-2 (2-Butenal, 4,4-bis(acetyloxy)-3-methyl-)
88347-72-2 structure
Product Name:2-Butenal, 4,4-bis(acetyloxy)-3-methyl-
CAS No:88347-72-2
MF:C9H12O5
MW:200.188583374023
CID:636112
PubChem ID:71408898
Update Time:2025-04-19
2-Butenal, 4,4-bis(acetyloxy)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenal, 4,4-bis(acetyloxy)-3-methyl-
- (1-acetyloxy-2-methyl-4-oxobut-2-enyl) acetate
- DTXSID10828676
- 2-Methyl-4-oxobut-2-ene-1,1-diyl diacetate
- 88347-72-2
-
- Inchi： 1S/C9H12O5/c1-6(4-5-10)9(13-7(2)11)14-8(3)12/h4-5,9H,1-3H3
- InChI Key： TVNDWUTXQOGZAI-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C(C(=CC=O)C)OC(C)=O
Computed Properties
- Exact Mass: 200.06847348g/mol
- Monoisotopic Mass: 200.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 250
- 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
- XLogP3: 0.5
- Topological Polar Surface Area: 69.7?2
2-Butenal, 4,4-bis(acetyloxy)-3-methyl- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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