Cas no 61760-68-7 (Propanoic acid, 2,3-dicyano-, methyl ester)
61760-68-7 structure
Product Name:Propanoic acid, 2,3-dicyano-, methyl ester
CAS No:61760-68-7
MF:C6H6N2O2
MW:138.124041080475
CID:467163
PubChem ID:15477348
Update Time:2025-04-19
Propanoic acid, 2,3-dicyano-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dicyano-, methyl ester
- methyl 2,3-dicyanopropanoate
- DTXSID30573136
- 61760-68-7
- methyl 2,3-dicyanopropionate
- UIRLWVNHZJRFMW-UHFFFAOYSA-N
- SCHEMBL8149058
-
- Inchi： 1S/C6H6N2O2/c1-10-6(9)5(4-8)2-3-7/h5H,2H2,1H3
- InChI Key： UIRLWVNHZJRFMW-UHFFFAOYSA-N
- SMILES： O(C)C(C(C#N)CC#N)=O
Computed Properties
- Exact Mass: 138.04298
- Monoisotopic Mass: 138.042927438g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 216
- 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: -0.3
- Topological Polar Surface Area: 73.9?2
Experimental Properties
- PSA: 73.88
Propanoic acid, 2,3-dicyano-, methyl ester Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
61760-68-7 (Propanoic acid, 2,3-dicyano-, methyl ester) Related Products
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- 40497-11-8(Ethyl 2,3-dicyanopropionate)
- 1619-58-5(Ethyl 2-cyanobutanoate)
- 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)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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