1,3-Isobenzofurandione, 5-methoxy-


Chemical Name: 1,3-Isobenzofurandione, 5-methoxy-
CAS Number: 28281-76-7
Product Number: AG007L06(AGN-PC-0JU6WW)
Synonyms:
MDL No:
Molecular Formula: C9H6O4
Molecular Weight: 178.1415

Identification/Properties


Computed Properties
Molecular Weight:
178.143g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
178.027g/mol
Monoisotopic Mass:
178.027g/mol
Topological Polar Surface Area:
52.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
248
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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