Home Aldehydes 5-methoxyfuran-2-carbaldehyde

5-methoxyfuran-2-carbaldehyde

CAS No.:
21300-07-2
Catalog Number:
AG00BHGF
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
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Product Description
Catalog Number:
AG00BHGF
Chemical Name:
5-methoxyfuran-2-carbaldehyde
CAS Number:
21300-07-2
Molecular Formula:
C6H6O3
Molecular Weight:
126.1100
MDL Number:
MFCD21800637
IUPAC Name:
5-methoxyfuran-2-carbaldehyde
InChI:
InChI=1S/C6H6O3/c1-8-6-3-2-5(4-7)9-6/h2-4H,1H3
InChI Key:
RJGBSYZFOCAGQY-UHFFFAOYSA-N
SMILES:
COc1ccc(o1)C=O
Properties
Complexity:
103  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.032g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
126.111g/mol
Monoisotopic Mass:
126.032g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Literature
Title Journal
Application of solid-phase extraction for determination of phenolic compounds in barrique wines. Analytical and bioanalytical chemistry 20030901
Properties