Cas no 917910-85-1 (2-Methyl-4-oxo-4-propoxybutanoate)
917910-85-1 structure
Product Name:2-Methyl-4-oxo-4-propoxybutanoate
CAS No:917910-85-1
MF:C8H13O4
MW:173.186423063278
CID:782271
Update Time:2023-08-03
2-Methyl-4-oxo-4-propoxybutanoate Chemical and Physical Properties
Names and Identifiers
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- Butanedioic acid, 2-methyl-, 4-propyl ester
- 2-methyl-4-oxo-4-propoxybutanoate
- 2-Methyl-4-oxo-4-propoxybutanoate
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- Inchi： 1S/C8H14O4/c1-3-4-12-7(9)5-6(2)8(10)11/h6H,3-5H2,1-2H3,(H,10,11)/p-1
- InChI Key： LVHMGUUYDATGPK-UHFFFAOYSA-M
- SMILES： O(CCC)C(CC(C(=O)[O-])C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 159
- Topological Polar Surface Area: 66.4
2-Methyl-4-oxo-4-propoxybutanoate Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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