Cas no 53766-42-0 (9,12,15-Octadecatrien-6-ynoic acid, (Z,Z,Z)-)
53766-42-0 structure
Product Name:9,12,15-Octadecatrien-6-ynoic acid, (Z,Z,Z)-
CAS No:53766-42-0
MF:C18H26O2
MW:274.397845745087
CID:356414
PubChem ID:44584408
Update Time:2025-04-19
9,12,15-Octadecatrien-6-ynoic acid, (Z,Z,Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9,12,15-Octadecatrien-6-ynoic acid, (Z,Z,Z)-
- DTXSID701241222
- SCHEMBL9571641
- (9Z,12Z,15Z)-octadeca-9,12,15-trien-6-ynoic acid
- CHEMBL458467
- Octadeca-6-yn-9,12,15(all Z)-trienoic acid (18:4a)
- Dicranin
- 53766-42-0
- 9Z,12Z,15Z-octadecatrien-6-ynoic acid
- (9Z,12Z,15Z)-9,12,15-Octadecatrien-6-ynoic acid
- LMFA01031109
- Q27134255
- CHEBI:65768
-
- Inchi： 1S/C18H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
- InChI Key： UXMMIMGEKFYPFK-PDBXOOCHSA-N
- SMILES： OC(CCCCC#CC/C=C\C/C=C\C/C=C\CC)=O
Computed Properties
- Exact Mass: 274.19338
- Monoisotopic Mass: 274.193280068g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 10
- Complexity: 388
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 3
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
9,12,15-Octadecatrien-6-ynoic acid, (Z,Z,Z)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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