Cas no 190896-16-3 (Butanoic acid,3-chloro-3-methyl-2-oxo-, methyl ester)
190896-16-3 structure
Product Name:Butanoic acid,3-chloro-3-methyl-2-oxo-, methyl ester
CAS No:190896-16-3
MF:C6H9ClO3
MW:164.586861371994
CID:115892
PubChem ID:45119164
Update Time:2025-04-18
Butanoic acid,3-chloro-3-methyl-2-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Butanoic acid,3-chloro-3-methyl-2-oxo-, methyl ester
- Butanoic acid, 3-chloro-3-methyl-2-oxo-, methyl ester
- 190896-16-3
- Butanoic acid,3-chloro-3-methyl-2-oxo-,methyl ester
-
- Inchi： 1S/C6H9ClO3/c1-6(2,7)4(8)5(9)10-3/h1-3H3
- InChI Key： CMLUFBVUULDRRK-UHFFFAOYSA-N
- SMILES： ClC(C(C(=O)OC)=O)(C)C
Computed Properties
- Exact Mass: 164.02407
- Monoisotopic Mass: 164.024
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 162
- 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
- Topological Polar Surface Area: 43.4A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 43.37
Butanoic acid,3-chloro-3-methyl-2-oxo-, methyl ester Related Literature
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
190896-16-3 (Butanoic acid,3-chloro-3-methyl-2-oxo-, methyl ester) Related Products
- 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)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Pearlk Chemicals Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
