Cas no 1072-17-9 (2,4-Hexadiynedioic acid)
2,4-Hexadiynedioic acid structure
Product Name:2,4-Hexadiynedioic acid
2,4-Hexadiynedioic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiynedioic acid
- hexa-2,4-diynedioic acid
- Diacetylenedicarboxylic acid
- Hexadiynedioicacid (6CI,7CI,8CI)
- USZXDNVMPDEEBP-UHFFFAOYSA-N
- 1072-17-9
- Diacetylendicarbonsaure
- AKOS006377030
- HOOC-C=C-C=C-COOH
- DTXSID80579062
- SCHEMBL417893
-
- Inchi： 1S/C6H2O4/c7-5(8)3-1-2-4-6(9)10/h(H,7,8)(H,9,10)
- InChI Key： USZXDNVMPDEEBP-UHFFFAOYSA-N
- SMILES： OC(C#CC#CC(=O)O)=O
Computed Properties
- Exact Mass: 137.99530854g/mol
- Monoisotopic Mass: 137.99530854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 255
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.5
- Topological Polar Surface Area: 74.6?2
2,4-Hexadiynedioic acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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