Cas no 32783-82-7 (Propanoic acid,2-methyl-, 2,2-dimethyl-3-oxopropyl ester)
32783-82-7 structure
Product Name:Propanoic acid,2-methyl-, 2,2-dimethyl-3-oxopropyl ester
CAS No:32783-82-7
MF:C9H16O3
MW:172.221543312073
CID:314990
PubChem ID:122961
Update Time:2025-04-19
Propanoic acid,2-methyl-, 2,2-dimethyl-3-oxopropyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid,2-methyl-, 2,2-dimethyl-3-oxopropyl ester
- (2,2-dimethyl-3-oxopropyl) 2-methylpropanoate
- 2,2-dimethyl-3-oxopropyl 2-methylpropanoate
- 2,2-Dimethyl-3-oxopropyl isobutyrate
- W98RM72223
- UNII-W98RM72223
- NS00029345
- 2,2-Dimethyl-3-isobutyroxypropanal
- DTXSID50186449
- 2,2-DIMETHYL-3-ISOBUTYRYLOXYPROPANAL
- APOPEBBNNFTQET-UHFFFAOYSA-N
- EINECS 251-215-3
- SCHEMBL2839597
- 32783-82-7
- isopropylcarbonyloxypivalaldehyde
-
- Inchi： 1S/C9H16O3/c1-7(2)8(11)12-6-9(3,4)5-10/h5,7H,6H2,1-4H3
- InChI Key： APOPEBBNNFTQET-UHFFFAOYSA-N
- SMILES： O(C(C(C)C)=O)CC(C=O)(C)C
Computed Properties
- Exact Mass: 172.10998
- Monoisotopic Mass: 172.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 171
- 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: 1.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Propanoic acid,2-methyl-, 2,2-dimethyl-3-oxopropyl ester Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
32783-82-7 (Propanoic acid,2-methyl-, 2,2-dimethyl-3-oxopropyl ester) Related Products
- 3938-95-2(Ethyl pivalate)
- 1619-62-1(Diethyl dimethylmalonate)
- 20605-01-0(Diethyl bis(hydroxymethyl)malonate)
- 1538-75-6(Trimethylacetic anhydride)
- 97-85-8(Isobutyl isobutyrate)
- 80370-42-9(Ethyl 2-formyl-3-oxopropanoate)
- 5471-77-2(3-Ethoxy-2,2-dimethyl-3-oxopropanoic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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