6-Methoxychromone-3-carboxaldehyde - CAS 42059-79-0

Name: 6-Methoxychromone-3-carboxaldehyde
Brand: BOC Sciences
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Catalog:	BB025027
Product Name:	6-Methoxychromone-3-carboxaldehyde
CAS:	42059-79-0
Synonyms:	6-methoxy-4-oxochromene-3-carbaldehyde

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Computed Properties

IUPAC Name:	6-methoxy-4-oxochromene-3-carbaldehyde
Description:	6-Methoxychromone-3-carboxaldehyde (CAS# 42059-79-0) is a useful research chemical.
Molecular Weight:	204.18
Molecular Formula:	C11H8O4
Canonical SMILES:	COC1=CC2=C(C=C1)OC=C(C2=O)C=O
InChI:	InChI=1S/C11H8O4/c1-14-8-2-3-10-9(4-8)11(13)7(5-12)6-15-10/h2-6H,1H3
InChI Key:	ILFXSWVYDSZVBC-UHFFFAOYSA-N
Boiling Point:	365.2 °C at 760 mmHg
Density:	1.401 g/cm³
MDL:	MFCD02683011
LogP:	1.61410

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Related Functional Groups

Carbonyl Compounds

[17746-05-3]C11H21ClO
Undecanoyl chloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[59855-96-8]C6H7NO3S
2-(Methoxymethyl)thiazole-5-carboxylic Acid
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[108397-75-7]C8H10N2O2
2,4,6-Trimethylpyrimidine-5-carboxylic Acid

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P310, P302+P352, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2020247794-A1	Pharmacophores, compounds and methods having application in the treatment of cancer through inhibition of cyp17a1 and cyp19a1	20151022
WO-2016110237-A1	Î'-carboline compound , preparation method therefor and uses thereof	20150105
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
WO-2011127933-A1	Bi-functional complexes and methods for making and using such complexes	20100416
AU-2005243147-A1	1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof	20040507

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	204.04225873
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	204.04225873
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2