Cas no 93858-00-5 (2-Propenoic acid,2-methyl-, hexatriacontyl ester)
93858-00-5 structure
Product Name:2-Propenoic acid,2-methyl-, hexatriacontyl ester
CAS No:93858-00-5
MF:C40H78O2
MW:591.046133518219
CID:807822
PubChem ID:3022694
Update Time:2025-04-19
2-Propenoic acid,2-methyl-, hexatriacontyl ester Chemical and Physical Properties
Names and Identifiers
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- 2-Propenoic acid,2-methyl-, hexatriacontyl ester
- hexatriacontyl 2-methylprop-2-enoate
- hexatriacontyl methacrylate
- NS00039701
- 93858-00-5
- EINECS 299-235-1
- SCHEMBL886834
- DTXSID50239803
-
- Inchi： 1S/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-42-40(41)39(2)3/h2,4-38H2,1,3H3
- InChI Key： OAYMNBMXGBFHKX-UHFFFAOYSA-N
- SMILES： O(C(C(=C)C)=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 590.6
- Monoisotopic Mass: 590.6
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 42
- Rotatable Bond Count: 37
- Complexity: 540
- 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: 20.2
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- Density: 0.86
- Boiling Point: 631.9°Cat760mmHg
- Flash Point: 306.6°C
- Refractive Index: 1.461
2-Propenoic acid,2-methyl-, hexatriacontyl ester Related Literature
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1. 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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
93858-00-5 (2-Propenoic acid,2-methyl-, hexatriacontyl ester) Related Products
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