Identification

PhytoHub ID
PHUB000532
Name
3-Methoxyacetophenone
Synonyms
  • 1-(3-methoxyphenyl)-ethanone
  • 3-Acetylanisole
CAS Number
Not Available
Average Mass
150.1745
Monoisotopic Mass
150.068079564
Chemical Formula
C9H10O2
IUPAC Name
M-methoxyacetophenone
InChI Key
BAYUSCHCCGXLAY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H3
SMILES
COC1=CC(=CC=C1)C(C)=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.05e+00 g/l
LogS (ALOGPS)
-2.15
LogP (ALOGPS)
1.77
Hydrogen Acceptors
2
Hydrogen Donors
0
Rotatable Bond Count
2
Polar Surface Area
26.3
Refractivity
42.924
Polarizability
15.99193583090709
Formal Charge
0
Physiological Charge
0
pKa (strongest basic)
-4.83049813947291
pKa (strongest acidic)
15.954934648655819
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Taxonomy

Family
Polyphenols
Class
Phenolic acids
Sub-class
Miscellaneous phenolic acids

Spectra

Record IDSourceDescriptionView
JP008192MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011771MassBankEI-B Spectrum - -, [M]+*View Spectra
JP011804MassBankEI-B Spectrum - -, [M]+*View Spectra

Food Sources

No food source information available

Metabolism

No metabolism information available

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