2,4,6-Cycloheptatrien-1-one, 2-hydroxy-


Chemical Name: 2,4,6-Cycloheptatrien-1-one, 2-hydroxy-
CAS Number: 533-75-5
Product Number: AG003ACI(AGN-PC-0JK9PC)
Synonyms:
MDL No:
Molecular Formula: C7H6O2
Molecular Weight: 122.1213

Identification/Properties


Computed Properties
Molecular Weight:
122.123g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
122.037g/mol
Monoisotopic Mass:
122.037g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
209
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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