Cas no 61760-63-2 (Propanoic acid, 2,3-dicyano-2-methyl-, methyl ester)
61760-63-2 structure
Product Name:Propanoic acid, 2,3-dicyano-2-methyl-, methyl ester
CAS No:61760-63-2
MF:C7H8N2O2
MW:152.150621414185
CID:467166
PubChem ID:71392499
Update Time:2025-04-19
Propanoic acid, 2,3-dicyano-2-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanoic acid, 2,3-dicyano-2-methyl-, methyl ester
- methyl 2,3-dicyano-2-methylpropanoate
- 61760-63-2
- DTXSID10814312
-
- Inchi： 1S/C7H8N2O2/c1-7(5-9,3-4-8)6(10)11-2/h3H2,1-2H3
- InChI Key： UKJXJEHDFNOOHJ-UHFFFAOYSA-N
- SMILES： O(C)C(C(C#N)(C)CC#N)=O
Computed Properties
- Exact Mass: 152.05864
- Monoisotopic Mass: 152.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 254
- 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: 0.1
- Topological Polar Surface Area: 73.9?2
Experimental Properties
- PSA: 73.88
Propanoic acid, 2,3-dicyano-2-methyl-, methyl ester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
61760-63-2 (Propanoic acid, 2,3-dicyano-2-methyl-, methyl ester) Related Products
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