Cas no 408534-78-1 (3-Furancarboxylic acid,4-formyl-2-methyl-)
408534-78-1 structure
Product Name:3-Furancarboxylic acid,4-formyl-2-methyl-
CAS No:408534-78-1
MF:C7H6O4
MW:154.120142459869
CID:326248
PubChem ID:45083809
Update Time:2025-04-19
3-Furancarboxylic acid,4-formyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Furancarboxylic acid,4-formyl-2-methyl-
- 3-Furancarboxylic acid, 4-formyl-2-methyl- (9CI)
- 4-formyl-2-methylfuran-3-carboxylic acid
- 408534-78-1
-
- Inchi： 1S/C7H6O4/c1-4-6(7(9)10)5(2-8)3-11-4/h2-3H,1H3,(H,9,10)
- InChI Key： ZCXUHBGYWYVPTK-UHFFFAOYSA-N
- SMILES： O1C=C(C=O)C(C(=O)O)=C1C
Computed Properties
- Exact Mass: 154.027
- Monoisotopic Mass: 154.027
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 177
- 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
- Topological Polar Surface Area: 67.5A^2
- XLogP3: 0.4
3-Furancarboxylic acid,4-formyl-2-methyl- Related Literature
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
408534-78-1 (3-Furancarboxylic acid,4-formyl-2-methyl-) Related Products
- 54576-44-2(2-Methylfuran-3,4-dicarboxylic acid)
- 6947-94-0(2-Methylfuran-3-carboxylic acid)
- 28730-32-7(trimethylfuran-3-carboxylic acid)
- 14757-79-0(2-Formylfuran-3-carboxylic acid)
- 15058-72-7(2,4-dimethylfuran-3-carboxylic acid)
- 21984-93-0(5-methylfuran-3-carboxylic acid)
- 636-44-2(2,5-Dimethylfuran-3-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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