Cas no 94201-64-6 (Docosanoic acid,(tetrahydro-2-furanyl)methyl ester)
94201-64-6 structure
Product Name:Docosanoic acid,(tetrahydro-2-furanyl)methyl ester
CAS No:94201-64-6
MF:C27H52O3
MW:424.699989318848
CID:805830
PubChem ID:3023998
Update Time:2025-04-19
Docosanoic acid,(tetrahydro-2-furanyl)methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Docosanoic acid,(tetrahydro-2-furanyl)methyl ester
- oxolan-2-ylmethyl docosanoate
- tetrahydrofurfuryl docosanoate
- 94201-64-6
- (Oxolan-2-yl)methyl docosanoate
- EINECS 303-652-7
- NS00066239
- DTXSID10916123
-
- Inchi： 1S/C27H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27(28)30-25-26-22-21-24-29-26/h26H,2-25H2,1H3
- InChI Key： SSUIWAUQJQTACD-UHFFFAOYSA-N
- SMILES： O1CCCC1COC(CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 424.391646
- Monoisotopic Mass: 424.391646
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 23
- Complexity: 369
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 11.1
- Topological Polar Surface Area: 35.5
Experimental Properties
- Density: 0.908
- Boiling Point: 505.6°Cat760mmHg
- Flash Point: 188.7°C
- Refractive Index: 1.461
Docosanoic acid,(tetrahydro-2-furanyl)methyl ester Related Literature
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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