Cas no 61363-32-4 (Cycloheptanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester)
61363-32-4 structure
Product Name:Cycloheptanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No:61363-32-4
MF:C12H20O3
MW:212.285404205322
CID:482303
PubChem ID:71396509
Update Time:2025-04-19
Cycloheptanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
- tert-butyl 2-oxocycloheptane-1-carboxylate
- 61363-32-4
- DTXSID90818070
-
- Inchi： 1S/C12H20O3/c1-12(2,3)15-11(14)9-7-5-4-6-8-10(9)13/h9H,4-8H2,1-3H3
- InChI Key： BSTPLHQNXRIIRH-UHFFFAOYSA-N
- SMILES： O(C(C)(C)C)C(C1C(CCCCC1)=O)=O
Computed Properties
- Exact Mass: 212.1413
- Monoisotopic Mass: 212.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 250
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Cycloheptanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester Related Literature
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
-
Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
-
Xingjie Wu,Linzhu Zhou,Yue Su,Chang-Ming Dong J. Mater. Chem. B, 2016,4, 2142-2152
61363-32-4 (Cycloheptanecarboxylic acid, 2-oxo-, 1,1-dimethylethyl ester) Related Products
- 1522-34-5(Ethyl 2-acetyl-4-methylpentanoate)
- 1522-46-9(Ethyl 2-Isopropylacetoacetate)
- 1540-28-9(Ethyl 2-acetylpentanoate)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 1115-30-6(Diethyl acetylsuccinate)
- 1501-06-0(Diethyl 2-acetylglutarate)
- 24317-94-0(Ethyl 2-acetylheptanoate)
- 29214-60-6(Ethyl 2-acetyloctanoate)
Recommended suppliers
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
SunaTech Inc.
Gold Member
Audited Supplier
CN Supplier
Reagent
