chempirical

Maltol propionate

C9H10O4CAS 68555-63-5182.17 g/mol

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Ester

Properties

Molecular formula
C9H10O4
Molar mass
182.17 g/mol
Exact mass
182.0579 Da
logP
1.26Crippen estimate
Polar surface area
56.5 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
68555-63-5
SMILES
CCC(=O)Oc1c(C)occc1=O
InChIKey
NBKYPRRBTKRGLE-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-3-8(11)13-9-6(2)12-5-4-7(9)10/h4-5H,3H2,1-2H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • 4H-Pyran-4-one, 2-methyl-3-(1-oxopropoxy)-
  • 2-Methyl-3-(1-oxopropoxy)-4H-pyran-4-one
  • 2-Methyl-4-oxo-4H-pyran-3-yl propanoate

Work with Maltol propionate

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

Maltol isobutyrate65416-14-058 % similar Maltol118-71-841 % similar Furfuryl propanoate623-19-839 % similar 4-(1-Oxopropoxy)benzaldehyde50262-48-137 % similar Benzyl propionate122-63-436 % similar Methyl 2-methylfuran-3-carboxylate6141-58-836 % similar 2-Methyl-3-furancarboxylic acid6947-94-034 % similar 3-(Benzyloxy)-4-oxo-4H-pyran-2-carboxylic acid119736-16-233 % 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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