Cas no 53445-05-9 (1,2-Cyclohexanedicarboxylic acid, 3-oxo-, diethyl ester)
53445-05-9 structure
Product Name:1,2-Cyclohexanedicarboxylic acid, 3-oxo-, diethyl ester
CAS No:53445-05-9
MF:C12H18O5
MW:242.268324375153
CID:357229
PubChem ID:12842443
Update Time:2025-04-19
1,2-Cyclohexanedicarboxylic acid, 3-oxo-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedicarboxylic acid, 3-oxo-, diethyl ester
- diethyl 3-oxocyclohexane-1,2-dicarboxylate
- DTXSID40511266
- SCHEMBL2006803
- 53445-05-9
-
- Inchi： 1S/C12H18O5/c1-3-16-11(14)8-6-5-7-9(13)10(8)12(15)17-4-2/h8,10H,3-7H2,1-2H3
- InChI Key： JZQNQCRNIJRGTL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1CCCC(C1C(=O)OCC)=O)=O
Computed Properties
- Exact Mass: 242.11544
- Monoisotopic Mass: 242.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 310
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.1
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
1,2-Cyclohexanedicarboxylic acid, 3-oxo-, diethyl ester Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
53445-05-9 (1,2-Cyclohexanedicarboxylic acid, 3-oxo-, diethyl ester) Related Products
- 517-23-7(2-Acetylbutyrolactone)
- 1540-29-0(Ethyl 2-acetylhexanoate)
- 774-05-0(ethyl 2-oxocycloheptane-1-carboxylate)
- 7152-15-0(Ethyl isobutyrylacetate)
- 1655-07-8(ethyl 2-oxocyclohexane-1-carboxylate)
- 607-97-6(Ethyl-2-ethylacetoacetate)
- 1187-74-2(Acetonyl-succinic Acid Diethyl Ester)
- 570-08-1(Diethyl 2-Acetylmalonate)
- 609-14-3(ethyl 2-methyl-3-oxobutanoate)
- 611-10-9(ethyl 2-oxocyclopentane-1-carboxylate)
Recommended suppliers
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Jinhuan Chemical CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent