Cas no 64137-47-9 (2-Furantridecanoic acid, 5-methyl-, methyl ester)
64137-47-9 structure
Product Name:2-Furantridecanoic acid, 5-methyl-, methyl ester
CAS No:64137-47-9
MF:C19H32O3
MW:308.455586433411
CID:424904
PubChem ID:71380437
Update Time:2025-04-19
2-Furantridecanoic acid, 5-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Furantridecanoic acid, 5-methyl-, methyl ester
- methyl 13-(5-methylfuran-2-yl)tridecanoate
- 64137-47-9
- DTXSID10802951
-
- Inchi： 1S/C19H32O3/c1-17-15-16-18(22-17)13-11-9-7-5-3-4-6-8-10-12-14-19(20)21-2/h15-16H,3-14H2,1-2H3
- InChI Key： VCIHUHHGHTVRRO-UHFFFAOYSA-N
- SMILES： O1C(C)=CC=C1CCCCCCCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 308.23526
- Monoisotopic Mass: 308.23514488g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 14
- Complexity: 278
- 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: 6.6
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
2-Furantridecanoic acid, 5-methyl-, methyl ester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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