Ethanone, 1-(2,4,5-trihydroxyphenyl)-


Chemical Name: Ethanone, 1-(2,4,5-trihydroxyphenyl)-
CAS Number: 1818-27-5
Product Number: AG00234D(AGN-PC-0JLBP1)
Synonyms:
MDL No:
Molecular Formula: C8H8O4
Molecular Weight: 168.1467

Identification/Properties


Computed Properties
Molecular Weight:
168.148g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
168.042g/mol
Monoisotopic Mass:
168.042g/mol
Topological Polar Surface Area:
77.8A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
180
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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