Cas no 85594-37-2 (Grape seed oil)
Grape seed oil structure
Product Name:Grape seed oil
Grape seed oil Chemical and Physical Properties
Names and Identifiers
-
- Grape seed oil
- Grapeseed Oil
- octadeca-9,12-dienoic acid
- KBioSS_000094
- FT-0627866
- KBio2_005230
- FT-0670798
- DTXSID2075059
- FT-0772621
- KBio2_000094
- Bio1_000769
- KBio2_002662
- SY011113
- 9,12-octadecadienic acid
- CBiol_001994
- 9(Z),12(E)-Octadecadienoic acid
- alpha-Linoleic acid
- Q27163939
- 8024-22-4
- Bio2_000574
- Bio1_001258
- AKOS030228545
- cis-9-cis-12-Octadecadienoic acid
- FT-0626808
- Bio2_000094
- FT-0601571
- KBio3_000188
- OYHQOLUKZRVURQ-UHFFFAOYSA-N
- Bio1_000280
- 9(E),12(Z)-Octadecadienoic acid
- KBio3_000187
- 85594-37-2
- 9,12-Octadecadienoic acid
- 2197-37-7
- KBioGR_000094
- DTXCID8036578
- FL181959
- DB-053596
- 9,12-Octadecadienoic acid (VAN)
- Linoleic acid- 99%
- MLA11125
- 606-872-4
- GrapeSeedOil
- grape seed oils
-
- Inchi： 1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)
- InChI Key： OYHQOLUKZRVURQ-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCC=CCC=CCCCCC)=O
Computed Properties
- Exact Mass: 280.240230259g/mol
- Monoisotopic Mass: 280.240230259g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 14
- Complexity: 267
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 6.8
- Topological Polar Surface Area: 37.3?2
Grape seed oil Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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