4H-Pyran-4-one, 2-(hydroxymethyl)-5-(phenylmethoxy)-


Chemical Name: 4H-Pyran-4-one, 2-(hydroxymethyl)-5-(phenylmethoxy)-
CAS Number: 15771-06-9
Product Number: AG001PO6(AGN-PC-0JXU0A)
Synonyms:
MDL No:
Molecular Formula: C13H12O4
Molecular Weight: 232.2320

Identification/Properties


Computed Properties
Molecular Weight:
232.235g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
4
Exact Mass:
232.074g/mol
Monoisotopic Mass:
232.074g/mol
Topological Polar Surface Area:
55.8A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
337
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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