1,3-Cyclohexanedione, 5-(2-furanyl)-


Chemical Name: 1,3-Cyclohexanedione, 5-(2-furanyl)-
CAS Number: 1774-11-4
Product Number: AG0025AY(AGN-PC-0JV495)
Synonyms:
MDL No:
Molecular Formula: C10H10O3
Molecular Weight: 178.1846

Identification/Properties


Computed Properties
Molecular Weight:
178.187g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.063g/mol
Monoisotopic Mass:
178.063g/mol
Topological Polar Surface Area:
47.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
218
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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