Cas no 58349-52-3 (Propanedioic acid, ethyl(1-methyl-3-oxopropyl)-, diethyl ester)
58349-52-3 structure
Product Name:Propanedioic acid, ethyl(1-methyl-3-oxopropyl)-, diethyl ester
CAS No:58349-52-3
MF:C13H22O5
MW:258.310784816742
CID:2833516
PubChem ID:12253071
Update Time:2025-04-21
Propanedioic acid, ethyl(1-methyl-3-oxopropyl)-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- DTXCID10433365
- DTXSID10482555
- Propanedioic acid, ethyl(1-methyl-3-oxopropyl)-, diethyl ester
- 58349-52-3
-
- Inchi： 1S/C13H22O5/c1-5-13(10(4)8-9-14,11(15)17-6-2)12(16)18-7-3/h9-10H,5-8H2,1-4H3
- InChI Key： CQGQGPWZIAWAHD-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC)C(C)CC=O)=O
Computed Properties
- Exact Mass: 258.14672380Da
- Monoisotopic Mass: 258.14672380Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 280
- 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: 1.8
- Topological Polar Surface Area: 69.7?2
Propanedioic acid, ethyl(1-methyl-3-oxopropyl)-, diethyl ester Related Literature
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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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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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