Cas no 122751-65-9 (Pentacosanoic acid, 3-hydroxy-)
122751-65-9 structure
Product Name:Pentacosanoic acid, 3-hydroxy-
CAS No:122751-65-9
MF:C25H50O3
MW:398.662708759308
CID:3692399
PubChem ID:44154663
Update Time:2025-04-22
Pentacosanoic acid, 3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Pentacosanoic acid, 3-hydroxy-
- 3-Hydroxypentacosanoic acid
- 122751-65-9
- DTXSID20924254
-
- Inchi： 1S/C25H50O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25(27)28/h24,26H,2-23H2,1H3,(H,27,28)
- InChI Key： HYQKKEJIYILBIX-UHFFFAOYSA-N
- SMILES： OC(CC(=O)O)CCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 398.37599545Da
- Monoisotopic Mass: 398.37599545Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 28
- Rotatable Bond Count: 23
- Complexity: 317
- 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: 10.6
- Topological Polar Surface Area: 57.5?2
Pentacosanoic acid, 3-hydroxy- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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