chempirical

4,5-Dimethyl-2-furaldehyde

C7H8O2CAS 52480-43-0124.14 g/mol

Open in Covalent MOL file
OO
Aldehyde

Properties

Molecular formula
C7H8O2
Molar mass
124.14 g/mol
Exact mass
124.0524 Da
logP
1.71Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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
52480-43-0
SMILES
CC1=C(OC(=C1)C=O)C
InChIKey
JPTPEPVCVXGNJM-UHFFFAOYSA-N
InChI
InChI=1S/C7H8O2/c1-5-3-7(4-8)9-6(5)2/h3-4H,1-2H3

Weigh it out

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Work with 4,5-Dimethyl-2-furaldehyde

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

3,4-Dimethylbenzaldehyde5973-71-742 % similar 5-Methylfurfural620-02-042 % similar 2,5-Furandicarboxaldehyde823-82-541 % similar 3,5-Dimethyl-4-hydroxybenzaldehyde2233-18-341 % similar 2,4,5-Trimethylbenzaldehyde5779-72-640 % similar 4,5-Dimethylfuran-2-carboxylic acid89639-83-840 % similar 4,5-Dibromofuran-2-carbaldehyde2433-85-439 % similar 2,4,6-Trimethylbenzaldehyde487-68-339 % similar

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

Same formula

2,6-Dimethyl-γ-pyrone1004-36-0 2-Acetyl-5-methylfuran1193-79-9 3-Methoxyphenol150-19-6 4-Methoxyphenol150-76-5 5-Ethyl-2-furaldehyde23074-10-4 (3aR,6aS)-3,3a,6,6a-Tetrahydro-2H-cyclopenta[b]furan-2-one43119-28-4 4-Methylcatechol452-86-8 2,5-Cyclohexadiene-1-carboxylic acid4794-04-1

Elsewhere

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