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21300-07-2 | 5-methoxyfuran-2-carbaldehyde
CAS No: 21300-07-2 Catalog No: AG00BHGF MDL No:MFCD21800637
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 |
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