chempirical

5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde

C12H10O3CAS 62484-76-8202.21 g/mol

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OOO
Aldehyde

Properties

Molecular formula
C12H10O3
Molar mass
202.21 g/mol
Exact mass
202.0630 Da
logP
2.22Crippen estimate
Polar surface area
47.3 Ų
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
62484-76-8
SMILES
CC1=CC(=C2C(=C1)OC=C(C2=O)C=O)C
InChIKey
MVKCOCQJKGTQAM-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-7-3-8(2)11-10(4-7)15-6-9(5-13)12(11)14/h3-6H,1-2H3

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Names and synonyms

1 names
  • 5,7-Dimethylchromone-3-carboxaldehyde

Work with 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde

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-methylchromone42059-81-456 % similar 6-Chloro-3-formyl-7-methylchromone64481-12-552 % similar 3-Formylchromone17422-74-144 % similar 3-Formyl-6-isopropylchromone49619-58-143 % similar 6-Chloro-3-formylchromone42248-31-743 % similar 6-Bromo-3-formylchromone52817-12-643 % similar 6-Fluoro-3-formylchromone69155-76-643 % similar 2,4-Dimethylbenzaldehyde15764-16-643 % 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 6-Ethyl-3-formylchromone42059-78-9

Elsewhere

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