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Home Other Building Blocks 5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one

5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one

CAS No.:
15771-06-9
Catalog Number:
AG001PO6
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$33
- +
1g
95%
In Stock USA
United States
$81
- +
5g
95%
In Stock USA
United States
$322
- +
Product Description
Catalog Number:
AG001PO6
Chemical Name:
5-(Benzyloxy)-2-(hydroxymethyl)-4h-pyran-4-one
CAS Number:
15771-06-9
Molecular Formula:
C13H12O4
Molecular Weight:
232.2320
MDL Number:
MFCD01927596
IUPAC Name:
2-(hydroxymethyl)-5-phenylmethoxypyran-4-one
InChI:
InChI=1S/C13H12O4/c14-7-11-6-12(15)13(9-16-11)17-8-10-4-2-1-3-5-10/h1-6,9,14H,7-8H2
InChI Key:
ZGEXYNBHYVEWKT-UHFFFAOYSA-N
SMILES:
OCc1occ(c(=O)c1)OCc1ccccc1
Properties
Complexity:
337  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.074g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.235g/mol
Monoisotopic Mass:
232.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties