Cas no 58908-50-2 (Propanoyl chloride, 3-(acetyloxy)-2,2-dimethyl-)
58908-50-2 structure
Product Name:Propanoyl chloride, 3-(acetyloxy)-2,2-dimethyl-
CAS No:58908-50-2
MF:C7H11ClO3
MW:178.613441705704
CID:340456
PubChem ID:11194663
Update Time:2025-04-19
Propanoyl chloride, 3-(acetyloxy)-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- Propanoyl chloride, 3-(acetyloxy)-2,2-dimethyl-
- (3-chloro-2,2-dimethyl-3-oxopropyl) acetate
- 3-acetoxy-2,2-dimethylpropionyl chloride
- DTXSID80458287
- SCHEMBL1267156
- VRLIKVWTVQNSMG-UHFFFAOYSA-N
- 2,2-dimethyl-3-acetyloxypropionyl chloride
- Acetic acid 2-chlorocarbonyl-2-methyl-propyl ester
- 58908-50-2
-
- Inchi： 1S/C7H11ClO3/c1-5(9)11-4-7(2,3)6(8)10/h4H2,1-3H3
- InChI Key： VRLIKVWTVQNSMG-UHFFFAOYSA-N
- SMILES： ClC(C(C)(C)COC(C)=O)=O
Computed Properties
- Exact Mass: 178.03973
- Monoisotopic Mass: 178.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 175
- 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
Propanoyl chloride, 3-(acetyloxy)-2,2-dimethyl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
-
Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
-
Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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