Cas no 138898-74-5 (19-Octacosynoic acid)
19-Octacosynoic acid structure
Product Name:19-Octacosynoic acid
CAS No:138898-74-5
MF:C28H52O2
MW:420.711289405823
CID:210428
PubChem ID:126407
Update Time:2025-04-19
19-Octacosynoic acid Chemical and Physical Properties
Names and Identifiers
-
- 19-Octacosynoic acid
- octacos-19-ynoic acid
- omega9-Octacosynoic acid
- DTXSID00160835
- 138898-74-5
-
- Inchi： 1S/C28H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-8,11-27H2,1H3,(H,29,30)
- InChI Key： GKSIBBKHUAUDKP-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCCCCCCCCC#CCCCCCCCC)=O
Computed Properties
- Exact Mass: 420.39696
- Monoisotopic Mass: 420.397
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 23
- Complexity: 415
- 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: 11.7
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 0.897
- Boiling Point: 536.7°Cat760mmHg
- Flash Point: 256.5°C
- Refractive Index: 1.472
- PSA: 37.3
19-Octacosynoic acid Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
138898-74-5 (19-Octacosynoic acid) Related Products
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- 14502-46-6(12-Tridecynoic acid)
- 178560-65-1(5,7-Docosadiynoic acid)
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