Cas no 5363-70-2 (Hexanedioic acid,2-methyl-5-methylene-)
5363-70-2 structure
Product Name:Hexanedioic acid,2-methyl-5-methylene-
Hexanedioic acid,2-methyl-5-methylene- Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid,2-methyl-5-methylene-
- 2-methyl-5-methyleneadipic acid
- 2-methyl-5-methylidenehexanedioic acid
- 5363-70-2
- BMQHCCUIUKBSNF-UHFFFAOYSA-N
- NS00044628
- 2-methyl-5-methylenehexanedioic acid
- SCHEMBL194542
- DTXSID10968400
- EINECS 226-352-7
-
- Inchi： 1S/C8H12O4/c1-5(7(9)10)3-4-6(2)8(11)12/h6H,1,3-4H2,2H3,(H,9,10)(H,11,12)
- InChI Key： BMQHCCUIUKBSNF-UHFFFAOYSA-N
- SMILES： OC(C(C)CCC(=C)C(=O)O)=O
Computed Properties
- Exact Mass: 172.07356
- Monoisotopic Mass: 172.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 5
- Complexity: 207
- 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: 1.1
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
Hexanedioic acid,2-methyl-5-methylene- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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