chempirical

6-Ethyl-3-formylchromone

C12H10O3CAS 42059-78-9202.21 g/mol

Open in Covalent MOL file
OOO
Aldehyde

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
logP
2.17Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
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
42059-78-9
SMILES
CCC1=CC2=C(C=C1)OC=C(C2=O)C=O
InChIKey
XCKTXKYXKJJGBA-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-7H,2H2,1H3

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Work with 6-Ethyl-3-formylchromone

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-Formyl-6-methylchromone42059-81-464 % similar 6-Chloro-3-formylchromone42248-31-760 % similar 6-Bromo-3-formylchromone52817-12-660 % similar 6-Fluoro-3-formylchromone69155-76-660 % similar 3-Formyl-6-isopropylchromone49619-58-160 % similar 3-Formylchromone17422-74-156 % similar 6-Chloro-3-formyl-7-methylchromone64481-12-550 % similar 6,8-Dichloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde64481-10-340 % similar

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

Same formula

2-Methyl-5-phenylfuran-3-carboxylic acid108124-17-0 2-Naphthoxyacetic acid120-23-0 4-Methoxy-1-naphthalenecarboxylic acid13041-62-8 4,4′-Dihydroxydiphenyl ether1965-09-9 6-Methoxy-2-naphthoic acid2471-70-7 Naphthoxyacetic acid2976-75-2 6-Methoxy-1-naphthoic acid36112-61-5 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde62484-76-8

Elsewhere

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