Cas no 119718-47-7 (Pentacosadiynoic acid)
Pentacosadiynoic acid structure
Product Name:Pentacosadiynoic acid
CAS No:119718-47-7
MF:C25H42O2
MW:374.599788188934
CID:97210
PubChem ID:53787390
Update Time:2025-04-18
Pentacosadiynoic acid Chemical and Physical Properties
Names and Identifiers
-
- Pentacosadiynoic acid
- pentacosa-2,4-diynoic acid
- 119718-47-7
- SCHEMBL591560
- DTXSID50706666
-
- Inchi： 1S/C25H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27/h2-20H2,1H3,(H,26,27)
- InChI Key： DZLWMPMXBUHMQV-UHFFFAOYSA-N
- SMILES： OC(C#CC#CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 374.31866
- Monoisotopic Mass: 374.318480578g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 27
- Rotatable Bond Count: 19
- Complexity: 466
- 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: 11.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Pentacosadiynoic acid Related Literature
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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