2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]cyclopent-4-ene-1,3-dione


Chemical Name: 2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]cyclopent-4-ene-1,3-dione
CAS Number: 503473-32-3
Product Number: AG00DAQJ(AGN-PC-0LT9VK)
Synonyms:
MDL No:
Molecular Formula: C14H12O3
Molecular Weight: 228.2433

Identification/Properties


Computed Properties
Molecular Weight:
228.247g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
228.079g/mol
Monoisotopic Mass:
228.079g/mol
Topological Polar Surface Area:
54.4A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
374
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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