Cas no 62568-83-6 (3-Heptene-1,2,6,7-tetracarboxylic acid, 5-heptyl-)
62568-83-6 structure
Product Name:3-Heptene-1,2,6,7-tetracarboxylic acid, 5-heptyl-
CAS No:62568-83-6
MF:C18H28O8
MW:372.410126686096
CID:439892
PubChem ID:71385154
Update Time:2025-04-19
3-Heptene-1,2,6,7-tetracarboxylic acid, 5-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Heptene-1,2,6,7-tetracarboxylic acid, 5-heptyl-
- 5-heptylhept-3-ene-1,2,6,7-tetracarboxylic acid
- 62568-83-6
- DTXSID40807393
-
- Inchi： 1S/C18H28O8/c1-2-3-4-5-6-7-12(14(18(25)26)11-16(21)22)8-9-13(17(23)24)10-15(19)20/h8-9,12-14H,2-7,10-11H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26)
- InChI Key： JSCLCZWQZQRUQC-UHFFFAOYSA-N
- SMILES： OC(C(CC(=O)O)C(C=CC(C(=O)O)CC(=O)O)CCCCCCC)=O
Computed Properties
- Exact Mass: 372.17844
- Monoisotopic Mass: 372.17841785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 26
- Rotatable Bond Count: 15
- Complexity: 511
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.8
- Topological Polar Surface Area: 149?2
Experimental Properties
- PSA: 149.2
3-Heptene-1,2,6,7-tetracarboxylic acid, 5-heptyl- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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