3-Formyl-6-methylchromone

C11H8O3CAS 42059-81-4188.18 g/mol

Open in Covalent MOL file
OOO
Aldehyde

Properties

Molecular formula
C11H8O3
Molar mass
188.18 g/mol
Exact mass
188.0473 Da
logP
1.91Crippen estimate
Polar surface area
47.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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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