Cas no 61421-99-6 (4-Undecene-1,5,11-tricarboxylic acid)
61421-99-6 structure
Product Name:4-Undecene-1,5,11-tricarboxylic acid
CAS No:61421-99-6
MF:C14H22O6
MW:286.320885181427
CID:480097
PubChem ID:54558810
Update Time:2025-04-19
4-Undecene-1,5,11-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Undecene-1,5,11-tricarboxylic acid
- undec-4-ene-1,5,11-tricarboxylic acid
- 6-carboxy-5-tridecenedioic acid
- DTXSID60712197
- 61421-99-6
-
- Inchi： 1S/C14H22O6/c15-12(16)9-4-2-1-3-7-11(14(19)20)8-5-6-10-13(17)18/h8H,1-7,9-10H2,(H,15,16)(H,17,18)(H,19,20)
- InChI Key： ZPBNGTGYOARKQW-UHFFFAOYSA-N
- SMILES： OC(C(=CCCCC(=O)O)CCCCCCC(=O)O)=O
Computed Properties
- Exact Mass: 286.14166
- Monoisotopic Mass: 286.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 359
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.1
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
4-Undecene-1,5,11-tricarboxylic acid Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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