Cas no 86509-53-7 (Hexanoic acid, 2-acetyl-, 1,1-dimethylethyl ester)
86509-53-7 structure
Product Name:Hexanoic acid, 2-acetyl-, 1,1-dimethylethyl ester
CAS No:86509-53-7
MF:C12H22O3
MW:214.301284313202
CID:661467
PubChem ID:24977487
Update Time:2025-04-19
Hexanoic acid, 2-acetyl-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
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- Hexanoic acid, 2-acetyl-, 1,1-dimethylethyl ester
- tert-butyl 2-acetylhexanoate
- 2-acetyl-hexanoic acid tert-butyl ester
- 86509-53-7
- DTXSID50648330
-
- Inchi： 1S/C12H22O3/c1-6-7-8-10(9(2)13)11(14)15-12(3,4)5/h10H,6-8H2,1-5H3
- InChI Key： CTHZXNBDDGYQFF-UHFFFAOYSA-N
- SMILES： O(C(C(C(C)=O)CCCC)=O)C(C)(C)C
Computed Properties
- Exact Mass: 214.15689456g/mol
- Monoisotopic Mass: 214.15689456g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 43.4?2
Hexanoic acid, 2-acetyl-, 1,1-dimethylethyl ester Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
86509-53-7 (Hexanoic acid, 2-acetyl-, 1,1-dimethylethyl ester) Related Products
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1522-46-9(Ethyl 2-Isopropylacetoacetate)
- 1540-28-9(Ethyl 2-acetylpentanoate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 1115-30-6(Diethyl acetylsuccinate)
- 1501-06-0(Diethyl 2-acetylglutarate)
- 24317-94-0(Ethyl 2-acetylheptanoate)
- 29214-60-6(Ethyl 2-acetyloctanoate)
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