Cas no 30141-68-5 (9-Octadecenoic acid, hydroxy-, (9Z)-)
30141-68-5 structure
Product Name:9-Octadecenoic acid, hydroxy-, (9Z)-
CAS No:30141-68-5
MF:C18H34O3
MW:298.46076631546
CID:1441675
PubChem ID:53946989
Update Time:2025-04-20
9-Octadecenoic acid, hydroxy-, (9Z)- Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid, hydroxy-, (9Z)-
- 2-hydroxyoctadec-9-enoic acid
- AKOS025243672
- NFX-88
- SML0256
- 2-Hydroxyoleic acid;2-OHOA
- SML-0256
- CHEMBL4594452
- DTXSID60707881
- 30141-68-5
- hydroxy-9-octadecenoic acid
- NFX88
-
- Inchi： 1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h9-10,17,19H,2-8,11-16H2,1H3,(H,20,21)
- InChI Key： JBSOOFITVPOOSY-UHFFFAOYSA-N
- SMILES： OC(C(=O)O)CCCCCCC=CCCCCCCCC
Computed Properties
- Exact Mass: 298.25092
- Monoisotopic Mass: 298.25079494g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 15
- Complexity: 261
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.5
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 57.53
9-Octadecenoic acid, hydroxy-, (9Z)- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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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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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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