Cas no 89635-70-1 (Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester)
89635-70-1 structure
Product Name:Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester
CAS No:89635-70-1
MF:C7H10O4
MW:158.151902675629
CID:593877
PubChem ID:13269975
Update Time:2025-04-19
Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester
- methyl 3,3-dimethyl-2,4-dioxobutanoate
- 89635-70-1
- DTXSID50533494
-
- Inchi： 1S/C7H10O4/c1-7(2,4-8)5(9)6(10)11-3/h4H,1-3H3
- InChI Key： WAVBXEANWAABDQ-UHFFFAOYSA-N
- SMILES： O=C(C(=O)OC)C(C=O)(C)C
Computed Properties
- Exact Mass: 158.05790880g/mol
- Monoisotopic Mass: 158.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 193
- 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: 0.6
- Topological Polar Surface Area: 60.4?2
Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
89635-70-1 (Butanoic acid, 3,3-dimethyl-2,4-dioxo-, methyl ester) Related Products
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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