Cas no 2964-00-3 (Butanedioic acid,2-methylene-, ion(2-))
2964-00-3 structure
Product Name:Butanedioic acid,2-methylene-, ion(2-)
Butanedioic acid,2-methylene-, ion(2-) Chemical and Physical Properties
Names and Identifiers
-
- Butanedioic acid,2-methylene-, ion(2-)
- 2-methylidenebutanedioate
- Butanedioicacid, methylene-, ion(2-) (9CI)
- Succinic acid, methylene-, ion(2-) (8CI)
- itaconate(2-)
- 2-methylenebutanedioate;Itaconic acid
- 2964-00-3
- CHEBI:17240
- A845736
- Q27102278
- DTXSID50183817
- Succinic acid, methylene-, ion(2-)
- Methylenesuccinate(2-)
- methylenesuccinic acid, ion(2-)
-
- Inchi： 1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)/p-2
- InChI Key： LVHBHZANLOWSRM-UHFFFAOYSA-L
- SMILES： [O-]C(CC(=C)C(=O)[O-])=O
Computed Properties
- Exact Mass: 186.06808
- Monoisotopic Mass: 186.06808
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 206
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 40.5
- XLogP3: 1.1
Experimental Properties
- Boiling Point: 381.4°Cat760mmHg
- Flash Point: 198.7°C
Butanedioic acid,2-methylene-, ion(2-) Related Literature
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Zhong-Yi Li,Chi Zhang,Bin Zhai,Jing-Cheng Han,Meng-Chun Pei,Jian-Jun Zhang,Fu-Li Zhang,Su-Zhi Li,Guang-Xiu Cao CrystEngComm 2017 19 2702
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Ram Prasad Bhusal,Jonathan Sperry Green Chem. 2016 18 2453
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3. Stereoselective Michael addition of benzylamines to homochiral methylenebutanedioatesAlexander N. Chernaga,Stephen G. Davies,Christopher N. Lewis,Richard S. Todd J. Chem. Soc. Perkin Trans. 1 1999 3603
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Marie Peng,Denis Ari,Thierry Roisnel,Henri Doucet,Jean-Fran?ois Soulé Chem. Sci. 2023 14 9055
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5. Reaction of dimethyl methylenesuccinate with hydrazineMarina Vinnikova,David Gertner,Shmuel Cohen,Albert Zilkha J. Chem. Soc. Perkin Trans. 1 1993 1931
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