Cas no 64144-78-1 (17-Octadecene-9,11-diynoic acid, 8-hydroxy-)
64144-78-1 structure
Product Name:17-Octadecene-9,11-diynoic acid, 8-hydroxy-
CAS No:64144-78-1
MF:C18H26O3
MW:290.397245883942
CID:424882
PubChem ID:5312840
Update Time:2025-04-19
17-Octadecene-9,11-diynoic acid, 8-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 17-Octadecene-9,11-diynoic acid, 8-hydroxy-
- 8-hydroxyoctadec-17-en-9,11-diynoic acid
- 64144-78-1
- Isanolic acid
- SCHEMBL1935440
- DTXSID30415608
- CHEBI:173157
- LMFA02000200
- Q54932269
- 8-hydroxy-17-octadecene-9,11-diynoic acid
- 8-hydroxy-17-octadecen-9,11-diynoic acid
-
- Inchi： 1S/C18H26O3/c1-2-3-4-5-6-7-8-11-14-17(19)15-12-9-10-13-16-18(20)21/h2,17,19H,1,3-6,9-10,12-13,15-16H2,(H,20,21)
- InChI Key： KWLVIGJGNBJKPA-UHFFFAOYSA-N
- SMILES： OC(C#CC#CCCCCC=C)CCCCCCC(=O)O
Computed Properties
- Exact Mass: 290.18828
- Monoisotopic Mass: 290.18819469g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 424
- 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: 4.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
17-Octadecene-9,11-diynoic acid, 8-hydroxy- Related Literature
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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