Cas no 61421-97-4 (5-Nonene-1,5,9-tricarboxylic acid)
61421-97-4 structure
Product Name:5-Nonene-1,5,9-tricarboxylic acid
CAS No:61421-97-4
MF:C12H18O6
MW:258.267724514008
CID:480099
PubChem ID:71396049
Update Time:2025-04-19
5-Nonene-1,5,9-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Nonene-1,5,9-tricarboxylic acid
- non-4-ene-1,5,9-tricarboxylic acid
- DTXSID60817636
- 61421-97-4
-
- Inchi： 1S/C12H18O6/c13-10(14)7-3-1-5-9(12(17)18)6-2-4-8-11(15)16/h5H,1-4,6-8H2,(H,13,14)(H,15,16)(H,17,18)
- InChI Key： PCONOWYGAFCDLM-UHFFFAOYSA-N
- SMILES： OC(C(=CCCCC(=O)O)CCCCC(=O)O)=O
Computed Properties
- Exact Mass: 258.11034
- Monoisotopic Mass: 258.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 332
- 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: 1
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
5-Nonene-1,5,9-tricarboxylic acid Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
61421-97-4 (5-Nonene-1,5,9-tricarboxylic acid) Related Products
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