4H-Pyran-4-one, 2-methyl-3-(phenylmethoxy)-


Chemical Name: 4H-Pyran-4-one, 2-methyl-3-(phenylmethoxy)-
CAS Number: 61049-69-2
Product Number: AG00EAI0(AGN-PC-0K5Z75)
Synonyms:
MDL No:
Molecular Formula: C13H12O3
Molecular Weight: 216.2326

Identification/Properties


Computed Properties
Molecular Weight:
216.236g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
216.079g/mol
Monoisotopic Mass:
216.079g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
322
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
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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