Cas no 199728-18-2 (2-Furancarboxylicacid,3,4-dimethyl-,methylester(9CI))
199728-18-2 structure
Product Name:2-Furancarboxylicacid,3,4-dimethyl-,methylester(9CI)
CAS No:199728-18-2
MF:C8H10O3
MW:154.163202762604
CID:1018914
PubChem ID:10606973
Update Time:2025-04-20
2-Furancarboxylicacid,3,4-dimethyl-,methylester(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxylicacid,3,4-dimethyl-,methylester(9CI)
- Methyl 3,4-dimethylfuran-2-carboxylate
- 199728-18-2
-
- Inchi： 1S/C8H10O3/c1-5-4-11-7(6(5)2)8(9)10-3/h4H,1-3H3
- InChI Key： GIZQEMOBQLYMAM-UHFFFAOYSA-N
- SMILES： O1C=C(C)C(C)=C1C(=O)OC
Computed Properties
- Exact Mass: 154.063
- Monoisotopic Mass: 154.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 155
- 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: 1.9
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
2-Furancarboxylicacid,3,4-dimethyl-,methylester(9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
199728-18-2 (2-Furancarboxylicacid,3,4-dimethyl-,methylester(9CI)) Related Products
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