Cas no 54448-18-9 (2,4-Hexadiyne-1,6-diol, diacetate)
54448-18-9 structure
Product Name:2,4-Hexadiyne-1,6-diol, diacetate
CAS No:54448-18-9
MF:C10H14O6
MW:230.214563846588
CID:354554
PubChem ID:71364667
Update Time:2025-04-19
2,4-Hexadiyne-1,6-diol, diacetate Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiyne-1,6-diol, diacetate
- acetic acid,hexa-2,4-diyne-1,6-diol
- 54448-18-9
- DTXSID70788126
- Acetic acid--hexa-2,4-diyne-1,6-diol (2/1)
-
- Inchi： 1S/C6H6O2.2C2H4O2/c7-5-3-1-2-4-6-8;2*1-2(3)4/h7-8H,5-6H2;2*1H3,(H,3,4)
- InChI Key： OLACEMXFYAOOTK-UHFFFAOYSA-N
- SMILES： OCC#CC#CCO.OC(C)=O.OC(C)=O
Computed Properties
- Exact Mass: 230.07902
- Monoisotopic Mass: 230.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 177
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115?2
Experimental Properties
- PSA: 115.06
2,4-Hexadiyne-1,6-diol, diacetate Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
54448-18-9 (2,4-Hexadiyne-1,6-diol, diacetate) Related Products
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