Cas no 88697-12-5 (2,4-Hexadiynedioic acid, dimethyl ester)
88697-12-5 structure
Product Name:2,4-Hexadiynedioic acid, dimethyl ester
CAS No:88697-12-5
MF:C8H6O4
MW:166.130842685699
CID:624198
PubChem ID:11126632
Update Time:2025-04-19
2,4-Hexadiynedioic acid, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Hexadiynedioic acid, dimethyl ester
- dimethyl hexa-2,4-diynedioate
- DTXSID40456108
- SCHEMBL2939248
- 88697-12-5
-
- Inchi： 1S/C8H6O4/c1-11-7(9)5-3-4-6-8(10)12-2/h1-2H3
- InChI Key： VIFLSBRKJGYTHE-UHFFFAOYSA-N
- SMILES： O(C(C#CC#CC(=O)OC)=O)C
Computed Properties
- Exact Mass: 166.02660867g/mol
- Monoisotopic Mass: 166.02660867g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 280
- 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: 1.2
- Topological Polar Surface Area: 52.6?2
2,4-Hexadiynedioic acid, dimethyl ester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
88697-12-5 (2,4-Hexadiynedioic acid, dimethyl ester) Related Products
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