Ethanone, 1-(1,8-dihydroxy-3-methyl-2-naphthalenyl)-


Chemical Name: Ethanone, 1-(1,8-dihydroxy-3-methyl-2-naphthalenyl)-
CAS Number: 3785-24-8
Product Number: AG00CIIG(AGN-PC-0JLCEI)
Synonyms:
MDL No:
Molecular Formula: C13H12O3
Molecular Weight: 216.23258

Identification/Properties


Computed Properties
Molecular Weight:
216.236g/mol
XLogP3:
3.1
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
216.079g/mol
Monoisotopic Mass:
216.079g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
276
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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