Cas no 79795-85-0 (Octadecanoic acid, 4-formyl-2-methoxyphenyl ester)
79795-85-0 structure
Product Name:Octadecanoic acid, 4-formyl-2-methoxyphenyl ester
CAS No:79795-85-0
MF:C26H42O4
MW:418.609288692474
CID:531946
PubChem ID:12191273
Update Time:2025-04-19
Octadecanoic acid, 4-formyl-2-methoxyphenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 4-formyl-2-methoxyphenyl ester
- (4-formyl-2-methoxyphenyl) octadecanoate
- SCHEMBL891656
- 79795-85-0
- DTXSID20479830
- 4-FORMYL-2-METHOXYPHENYL OCTADECANOATE
-
- Inchi： 1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(28)30-24-20-19-23(22-27)21-25(24)29-2/h19-22H,3-18H2,1-2H3
- InChI Key： OIENANNQMBELCC-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C=O)=CC=1OC)C(CCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 418.30830982g/mol
- Monoisotopic Mass: 418.30830982g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 20
- Complexity: 423
- 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: 9.5
- Topological Polar Surface Area: 52.6?2
Octadecanoic acid, 4-formyl-2-methoxyphenyl ester Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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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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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
79795-85-0 (Octadecanoic acid, 4-formyl-2-methoxyphenyl ester) Related Products
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