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Home Aldehydes 2-methyl-3-furaldehyde

2-methyl-3-furaldehyde

CAS No.:
5612-67-9
Catalog Number:
AG00DBHA
Molecular Formula:
C6H6O2
Molecular Weight:
110.1106
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Product Description
Catalog Number:
AG00DBHA
Chemical Name:
2-methyl-3-furaldehyde
CAS Number:
5612-67-9
Molecular Formula:
C6H6O2
Molecular Weight:
110.1106
MDL Number:
MFCD09702375
IUPAC Name:
2-methylfuran-3-carbaldehyde
InChI:
InChI=1S/C6H6O2/c1-5-6(4-7)2-3-8-5/h2-4H,1H3
InChI Key:
WBFUBNWKSDINIX-UHFFFAOYSA-N
SMILES:
Cc1occc1C=O
Properties
Complexity:
90.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.037g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.112g/mol
Monoisotopic Mass:
110.037g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Micellar electrokinetic chromatography method for the simultaneous determination of furanic compounds in honey and vegetable oils. Talanta 20120815
Regioselective synthesis and structural studies of substituted gamma-hydroxybutenolides with use of a tandem Baylis-Hillman/singlet oxygenation reaction. The Journal of organic chemistry 20080620
Addition/oxidative rearrangement of 3-furfurals and 3-furyl imines: new approaches to substituted furans and pyrroles. Journal of the American Chemical Society 20080326
Fluoride-assisted regioselective conversion of functionalized furans to alpha-substituted gamma-hydroxybutenolides using singlet oxygen. The Journal of organic chemistry 20070803
Synthesis and biological activity of novel 4,4-difluorobenzazepine derivatives as non-peptide antagonists of the arginine vasopressin V1A receptor. Bioorganic & medicinal chemistry 20060315
Properties