Cas no 50989-95-2 (5-Hexene-1,3,5-tricarboxylic acid)
50989-95-2 structure
Product Name:5-Hexene-1,3,5-tricarboxylic acid
CAS No:50989-95-2
MF:C9H12O6
MW:216.187983512878
CID:336520
PubChem ID:19981164
Update Time:2025-04-19
5-Hexene-1,3,5-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-Hexene-1,3,5-tricarboxylic acid
- hex-5-ene-1,3,5-tricarboxylic acid
- SCHEMBL9188814
- 50989-95-2
- DTXSID00601652
-
- Inchi： 1S/C9H12O6/c1-5(8(12)13)4-6(9(14)15)2-3-7(10)11/h6H,1-4H2,(H,10,11)(H,12,13)(H,14,15)
- InChI Key： MFGHWRQPWTYNPP-UHFFFAOYSA-N
- SMILES： OC(C(CC(=C)C(=O)O)CCC(=O)O)=O
Computed Properties
- Exact Mass: 216.06338810g/mol
- Monoisotopic Mass: 216.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 15
- Rotatable Bond Count: 7
- Complexity: 293
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 112?2
5-Hexene-1,3,5-tricarboxylic acid Related Literature
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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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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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