Cas no 95399-99-8 (Butanoic acid, 3-oxo-, cyclobutyl ester)
95399-99-8 structure
Product Name:Butanoic acid, 3-oxo-, cyclobutyl ester
CAS No:95399-99-8
MF:C8H12O3
MW:156.179082870483
CID:735022
PubChem ID:20189390
Update Time:2025-04-19
Butanoic acid, 3-oxo-, cyclobutyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid, 3-oxo-, cyclobutyl ester
- cyclobutyl 3-oxobutanoate
- 95399-99-8
- GCPXGAQMXOZLKH-UHFFFAOYSA-N
- SCHEMBL1319964
- cyclobutyl acetoacetate
- DTXSID60603354
-
- Inchi： 1S/C8H12O3/c1-6(9)5-8(10)11-7-3-2-4-7/h7H,2-5H2,1H3
- InChI Key： GCPXGAQMXOZLKH-UHFFFAOYSA-N
- SMILES： O(C(CC(C)=O)=O)C1CCC1
Computed Properties
- Exact Mass: 156.078644241g/mol
- Monoisotopic Mass: 156.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 0.9
- Topological Polar Surface Area: 43.4?2
Butanoic acid, 3-oxo-, cyclobutyl ester Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
95399-99-8 (Butanoic acid, 3-oxo-, cyclobutyl ester) Related Products
- 13562-76-0(Butan-2-yl 3-Oxobutanoate)
- 6947-02-0(Butanoic acid, 3-oxo-,cyclohexyl ester)
- 542-08-5(Isopropyl acetoacetate)
- 13562-81-7(Acetoacetic Acid 3-Pentyl Ester)
- 63930-59-6(3-Oxocyclobutyl acetate)
- 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)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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