4-Oxo-3-(phenylMethoxy)-4H-pyran-2,5-dicarboxylic acid 2,5-diMethyl ester


Chemical Name: 4-Oxo-3-(phenylMethoxy)-4H-pyran-2,5-dicarboxylic acid 2,5-diMethyl ester
CAS Number: 1246616-66-9
Product Number: AG000MK1(AGN-PC-0WAK6X)
Synonyms:
MDL No:
Molecular Formula: C16H14O7
Molecular Weight: 318.2782

Identification/Properties


Computed Properties
Molecular Weight:
318.281g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
7
Exact Mass:
318.074g/mol
Monoisotopic Mass:
318.074g/mol
Topological Polar Surface Area:
88.1A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
553
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-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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