3-Formyl-6-methylchromone

C₁₁H₈O₃CAS 42059-81-4188.18 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₈O₃
Molar mass: 188.18 g/mol
Exact mass: 188.0473 Da
logP: 1.91Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
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

42059-81-4

SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C=O

InChIKey

GBWMIOYSMWCYIZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3

Weigh it out

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Work with 3-Formyl-6-methylchromone

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

6-Chloro-3-formylchromone42248-31-765 % similar 6-Bromo-3-formylchromone52817-12-665 % similar 6-Fluoro-3-formylchromone69155-76-665 % similar 6-Ethyl-3-formylchromone42059-78-964 % similar 3-Formyl-6-isopropylchromone49619-58-164 % similar 3-Formylchromone17422-74-161 % similar 6-Chloro-3-formyl-7-methylchromone64481-12-557 % similar 3-Cyano-6-methylchromone50743-18-556 % similar

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

Same formula

6-Hydroxy-2-naphthoic acid16712-64-4 2-Hydroxy-1-naphthoic acid2283-08-1 6-Hydroxy-1-naphthoic acid2437-17-4 3-Acetylcoumarin3949-36-8 Plumbagin481-42-5 5-Phenylfuran-2-carboxylic acid52938-97-3 1-Hydroxy-2-naphthoic acid86-48-6 3-Hydroxy-2-naphthoic acid92-70-6

Elsewhere

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