Cas no 90825-50-6 (Pentanedioic acid, 2,4-dicyano-, diethyl ester)
90825-50-6 structure
Product Name:Pentanedioic acid, 2,4-dicyano-, diethyl ester
CAS No:90825-50-6
MF:C11H14N2O4
MW:238.239862918854
CID:788389
PubChem ID:15932776
Update Time:2025-04-19
Pentanedioic acid, 2,4-dicyano-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanedioic acid, 2,4-dicyano-, diethyl ester
- diethyl 2,4-dicyanopentanedioate
- SCHEMBL10902100
- MDTMKNDGWZBWNI-UHFFFAOYSA-N
- 90825-50-6
- DTXSID00579781
- 2,4-dicyanoglutaric acid diethyl ester
-
- Inchi： 1S/C11H14N2O4/c1-3-16-10(14)8(6-12)5-9(7-13)11(15)17-4-2/h8-9H,3-5H2,1-2H3
- InChI Key： MDTMKNDGWZBWNI-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C#N)CC(C#N)C(=O)OCC)=O
Computed Properties
- Exact Mass: 238.09535693g/mol
- Monoisotopic Mass: 238.09535693g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 8
- Complexity: 337
- 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: 0.9
- Topological Polar Surface Area: 100?2
Pentanedioic acid, 2,4-dicyano-, diethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
90825-50-6 (Pentanedioic acid, 2,4-dicyano-, diethyl ester) Related Products
- 6283-71-2(Dimethyl 2-cyanosuccinate)
- 1619-56-3(Ethyl 2-cyano-2-ethylbutanoate)
- 40497-11-8(Ethyl 2,3-dicyanopropionate)
- 1619-58-5(Ethyl 2-cyanobutanoate)
- 1558-81-2(Ethyl 1-cyanocyclopropanecarboxylate)
- 28247-14-5(ethyl 1-cyanocyclopentane-1-carboxylate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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