4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-


Chemical Name: 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5,6,7-tetrahydroxy-
CAS Number: 90-18-6
Product Number: AG006J1W(AGN-PC-0LPKG9)
Synonyms:
MDL No:
Molecular Formula: C15H10O8
Molecular Weight: 318.2351

Identification/Properties


Computed Properties
Molecular Weight:
318.237g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
6
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
1
Exact Mass:
318.038g/mol
Monoisotopic Mass:
318.038g/mol
Topological Polar Surface Area:
148A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
518
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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