Cas no 4525-70-6 (Propanedioic acid, phenoxy-, diethyl ester)
4525-70-6 structure
Product Name:Propanedioic acid, phenoxy-, diethyl ester
CAS No:4525-70-6
MF:C13H16O5
MW:252.263144493103
CID:1516730
PubChem ID:2305167
Update Time:2025-04-21
Propanedioic acid, phenoxy-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, phenoxy-, diethyl ester
- Z56755599
- diethyl 2-phenoxypropanedioate
- SR-01000025199
- 1,3-diethyl 2-phenoxypropanedioate
- diethyl 2-phenoxymalonate
- SCHEMBL5711752
- diethyl phenoxymalonate
- AKOS001028510
- Propanedioic acid, 2-phenoxy-, 1,3-diethyl ester
- SR-01000025199-1
- DTXSID101297358
- ZQNYBTKCSIVYBX-UHFFFAOYSA-N
- 2-phenoxypropanedioicacid diethylester
- 4525-70-6
-
- Inchi： 1S/C13H16O5/c1-3-16-12(14)11(13(15)17-4-2)18-10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3
- InChI Key： ZQNYBTKCSIVYBX-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C(C(=O)OCC)C(=O)OCC
Computed Properties
- Exact Mass: 252.09978
- Monoisotopic Mass: 252.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 253
- 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: 2.7
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
Propanedioic acid, phenoxy-, diethyl ester Related Literature
-
Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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