Cas no 38199-50-7 (2-Furanoctanoic acid, methyl ester)
38199-50-7 structure
Product Name:2-Furanoctanoic acid, methyl ester
CAS No:38199-50-7
MF:C13H20O3
MW:224.296104431152
CID:292305
PubChem ID:557175
Update Time:2025-04-19
2-Furanoctanoic acid, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Furanoctanoic acid, methyl ester
- Octanoic acid, 8-(2-furyl), methyl ester
- methyl 8-(furan-2-yl)octanoate
- DTXSID30339597
- Methyl 8-(2-furyl)octanoate
- 8-(2-furyl)-octanoic acid methyl ester
- methyl 8-(2-furyl)-octanoate
- 38199-50-7
-
- Inchi： 1S/C13H20O3/c1-15-13(14)10-6-4-2-3-5-8-12-9-7-11-16-12/h7,9,11H,2-6,8,10H2,1H3
- InChI Key： BEDHFJANVUDDFI-UHFFFAOYSA-N
- SMILES： O1C=CC=C1CCCCCCCC(=O)OC
Computed Properties
- Exact Mass: 224.1413
- Monoisotopic Mass: 224.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 192
- 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: 3.4
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
2-Furanoctanoic acid, methyl ester Related Literature
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Masrudin Md Yusoff,Muggundha Raoov,Noorfatimah Yahaya,Noorashikin Md Salleh RSC Adv., 2017,7, 35832-35844
-
Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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