3-Formyl-6-methylchromone - CAS 42059-81-4

Name: 3-Formyl-6-methylchromone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025029
Product Name:	3-Formyl-6-methylchromone
CAS:	42059-81-4
Synonyms:	6-methyl-4-oxochromene-3-carbaldehyde

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Computed Properties

IUPAC Name:	6-methyl-4-oxochromene-3-carbaldehyde
Description:	3-Formyl-6-methylchromone (CAS# 42059-81-4) is a useful research chemical.
Molecular Weight:	188.18
Molecular Formula:	C11H8O3
Canonical SMILES:	CC1=CC2=C(C=C1)OC=C(C2=O)C=O
InChI:	InChI=1S/C11H8O3/c1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10/h2-6H,1H3
InChI Key:	GBWMIOYSMWCYIZ-UHFFFAOYSA-N
Boiling Point:	335.1 °C at 760 mmHg
Density:	1.364 g/cm³
Appearance:	White powder
MDL:	MFCD00138943
LogP:	1.91390

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
KR-20200001859-A	2-arylpyridines compound, use thereof and preparation method thereof	20180628
KR-102124450-B1	2-arylpyridines compound, use thereof and preparation method thereof	20180628
CN-106673988-B	Benzyl subunit cyclohexenone derivative and preparation method and medical application thereof	20161205
US-2015158895-A1	Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (pde 10a)	20131205
US-2016264549-A1	Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (pde 10a)	20131205

PMID	Publication Date	Title	Journal
23125710	20121001	6-Methyl-4-oxo-4H-chromene-3-carbaldehyde	Acta crystallographica. Section E, Structure reports online
18019419	20070901	Biological activity of 3-formylchromones and related compounds	In vivo (Athens, Greece)
15908204	20050615	Carbonic anhydrase inhibitors. Inhibition of cytosolic/tumor-associated carbonic anhydrase isozymes I, II, IX, and XII with Schiff's bases incorporating chromone and aromatic sulfonamide moieties, and their zinc complexes	Bioorganic & medicinal chemistry letters

Complexity:	293
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.047344113
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.047344113
Rotatable Bond Count:	1
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6