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1219-33-6 | 4H-Pyran-2-carboxylic acid, 4-oxo-5-(phenylmethoxy)-
CAS No: 1219-33-6 Catalog No: AG0016DA MDL No:MFCD08531038
Product Description
Catalog Number:
AG0016DA
Chemical Name:
4H-Pyran-2-carboxylic acid, 4-oxo-5-(phenylmethoxy)-
CAS Number:
1219-33-6
Molecular Formula:
C13H10O5
Molecular Weight:
246.2155
MDL Number:
MFCD08531038
IUPAC Name:
4-oxo-5-phenylmethoxypyran-2-carboxylic acid
InChI:
InChI=1S/C13H10O5/c14-10-6-11(13(15)16)18-8-12(10)17-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,15,16)
InChI Key:
RGZZNPNSZZJJSH-UHFFFAOYSA-N
SMILES:
OC(=O)c1occ(c(=O)c1)OCc1ccccc1
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.218g/mol
Monoisotopic Mass:
246.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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