Cas no 57071-29-1 (2-Pentenedioic acid,2-methyl-)
2-Pentenedioic acid,2-methyl- structure
Product Name:2-Pentenedioic acid,2-methyl-
2-Pentenedioic acid,2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenedioic acid,2-methyl-
- 2-methylpent-2-enedioic acid
- 57071-29-1
- SCHEMBL275071
- NS00122548
- DTXSID30866313
- methylglutaconic acid
-
- Inchi： 1S/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h2H,3H2,1H3,(H,7,8)(H,9,10)
- InChI Key： JKGHDBJDBRBRNA-UHFFFAOYSA-N
- SMILES： OC(CC=C(C(=O)O)C)=O
Computed Properties
- Exact Mass: 144.04224
- Monoisotopic Mass: 144.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 180
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.1
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
2-Pentenedioic acid,2-methyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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