Cas no 40710-33-6 (Methyl hentetracontanoate)
Methyl hentetracontanoate structure
Product Name:Methyl hentetracontanoate
CAS No:40710-33-6
MF:C42H84O2
MW:621.115174293518
CID:2667709
PubChem ID:636150
Update Time:2024-02-29
Methyl hentetracontanoate Chemical and Physical Properties
Names and Identifiers
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- Hentetracontanoic acid methyl ester
- methyl hentetracontanoate
- Hentetracontanoic acid, methyl ester
- OPUFGLQTQVMTFX-UHFFFAOYSA-N
- Methyl hentetracontanoate
-
- Inchi： 1S/C42H84O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42(43)44-2/h3-41H2,1-2H3
- InChI Key： OPUFGLQTQVMTFX-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 620.64713192g/mol
- Monoisotopic Mass: 620.64713192g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 44
- Rotatable Bond Count: 40
- Complexity: 516
- 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: 21.5
- Topological Polar Surface Area: 26.3
Methyl hentetracontanoate Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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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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