Cas no 124502-13-2 (Benzoic acid, 3,5-bis(octadecyloxy)-)
124502-13-2 structure
Product Name:Benzoic acid, 3,5-bis(octadecyloxy)-
CAS No:124502-13-2
MF:C43H78O4
MW:659.077034473419
CID:1216207
PubChem ID:19875607
Update Time:2025-04-20
Benzoic acid, 3,5-bis(octadecyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3,5-bis(octadecyloxy)-
- 3,5-dioctadecoxybenzoic acid
- 124502-13-2
- SCHEMBL15731864
- DTXSID20600889
- 3,5-BIS(OCTADECYLOXY)BENZOIC ACID
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- Inchi： 1S/C43H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-46-41-37-40(43(44)45)38-42(39-41)47-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37-39H,3-36H2,1-2H3,(H,44,45)
- InChI Key： DGHAMYSZTYSXBM-UHFFFAOYSA-N
- SMILES： O(C1C=C(C(=O)O)C=C(C=1)OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 658.59001097g/mol
- Monoisotopic Mass: 658.59001097g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 47
- Rotatable Bond Count: 37
- Complexity: 591
- 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: 19.1
- Topological Polar Surface Area: 55.8?2
Benzoic acid, 3,5-bis(octadecyloxy)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
124502-13-2 (Benzoic acid, 3,5-bis(octadecyloxy)-) Related Products
- 15872-43-2(4-(N-Nonyloxy)Benzoic Acid)
- 15872-44-3(4-Undecyloxybenzoic Acid)
- 15872-48-7(p-Hexadecyloxybenzoic Acid)
- 1498-96-0(4-Butoxybenzoic acid)
- 2493-84-7(4-N-Octyloxybenzoic Acid)
- 15872-41-0(4-N-Pentyloxybenzoic Acid)
- 1142-39-8(4-(Hexyloxy)benzoic Acid)
- 2312-15-4(4-(Dodecyloxy)benzoic acid)
- 15872-42-1(4-(Heptyloxy)benzoic Acid)
- 5519-23-3(4-(Decyloxy)benzoic acid)
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