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Home > Aldehydes > 216581-46-3
216581-46-3 | 4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)-
CAS No: 216581-46-3 Catalog No: AG007PNK MDL No:
Product Description
Catalog Number:
AG007PNK
Chemical Name:
4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)-
CAS Number:
216581-46-3
Molecular Formula:
C14H12O4
Molecular Weight:
244.2427
IUPAC Name:
6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
InChI:
InChI=1S/C14H12O4/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChI Key:
QODDKYKRVSWARB-UHFFFAOYSA-N
SMILES:
O=Cc1oc(C)cc(=O)c1OCc1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.246g/mol
Monoisotopic Mass:
244.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| Synthesis, antimicrobial evaluation and QSAR study of some 3-hydroxypyridine-4-one and 3-hydroxypyran-4-one derivatives. | European journal of medicinal chemistry 20090501 |
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