Cas no 15058-73-8 (3-Furancarboxylic acid, 2,4-dimethyl-, methyl ester)
15058-73-8 structure
Product Name:3-Furancarboxylic acid, 2,4-dimethyl-, methyl ester
CAS No:15058-73-8
MF:C8H10O3
MW:154.163202762604
CID:1323088
PubChem ID:13102221
Update Time:2025-04-20
3-Furancarboxylic acid, 2,4-dimethyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Furancarboxylic acid, 2,4-dimethyl-, methyl ester
- 15058-73-8
- Methyl 2,4-dimethyl-3-furancarboxylate
- SCHEMBL10846303
- DTXSID801282310
- InChI=1/C8H10O3/c1-5-4-11-6(2)7(5)8(9)10-3/h4H,1-3H3
- MRYBBZRQMOLDQO-UHFFFAOYSA-
-
- Inchi: 1S/C8H10O3/c1-5-4-11-6(2)7(5)8(9)10-3/h4H,1-3H3
- InChI Key: MRYBBZRQMOLDQO-UHFFFAOYSA-N
- SMILES: O1C=C(C)C(C(=O)OC)=C1C
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: 1.6
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
3-Furancarboxylic acid, 2,4-dimethyl-, methyl ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
15058-73-8 (3-Furancarboxylic acid, 2,4-dimethyl-, methyl ester) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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