chempirical

2,3-Dihydroxy-4-methoxyacetophenone

C9H10O4CAS 708-53-2182.17 g/mol

Open in Covalent MOL file
OOOHHO
EtherKetonePhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
logP
1.31Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
708-53-2
SMILES
CC(=O)C1=C(C(=C(C=C1)OC)O)O
InChIKey
VCONERRCKOKCHE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-5(10)6-3-4-7(13-2)9(12)8(6)11/h3-4,11-12H,1-2H3

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Work with 2,3-Dihydroxy-4-methoxyacetophenone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one5396-18-976 % similar 2',3',4'-Trimethoxyacetophenone13909-73-460 % similar Gallacetophenone528-21-259 % similar Acetosyringone2478-38-856 % similar 1-(3-Hydroxy-4-methoxyphenyl)ethanone6100-74-955 % similar 2′-Methoxyacetophenone579-74-854 % similar 2',5'-Dimethoxyacetophenone1201-38-354 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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