4-Methoxy-1,3-isobenzofurandione


Chemical Name: 4-Methoxy-1,3-isobenzofurandione
CAS Number: 14963-96-3
Product Number: AG00ABSU(AGN-PC-0WAAIL)
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

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NMR Spectrum


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