4H,6H-Benzo[1,2-b:4,5-c']dipyran-8-carboxylic acid,5,9-dihydroxy-2-methyl-4,6-dioxo-, methyl ester


Chemical Name: 4H,6H-Benzo[1,2-b:4,5-c']dipyran-8-carboxylic acid,5,9-dihydroxy-2-methyl-4,6-dioxo-, methyl ester
CAS Number: 93752-78-4
Product Number: AG01E5WI(AGN-PC-0W3C62)
Synonyms:
MDL No: MFCD14635387
Molecular Formula: C15H10O8
Molecular Weight: 318.2351

Identification/Properties


Computed Properties
Molecular Weight:
318.237g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
318.038g/mol
Monoisotopic Mass:
318.038g/mol
Topological Polar Surface Area:
119A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
646
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


Other Analytical Data


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