6-Ethyl-3-formylchromone - CAS 42059-78-9

Catalog:	BB025026
Product Name:	6-Ethyl-3-formylchromone
CAS:	42059-78-9
Synonyms:	6-ethyl-4-oxochromene-3-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	6-ethyl-4-oxochromene-3-carbaldehyde
Description:	6-Ethyl-3-formylchromone (CAS# 42059-78-9) is a useful research chemical.
Molecular Weight:	202.21
Molecular Formula:	C12H10O3
Canonical SMILES:	CCC1=CC2=C(C=C1)OC=C(C2=O)C=O
InChI:	InChI=1S/C12H10O3/c1-2-8-3-4-11-10(5-8)12(14)9(6-13)7-15-11/h3-7H,2H2,1H3
InChI Key:	XCKTXKYXKJJGBA-UHFFFAOYSA-N
Boiling Point:	343.3 °C at 760 mmHg
Density:	1.308 g/cm³
MDL:	MFCD00192155
LogP:	2.16790

Publication Number	Title	Priority Date
EP-2558577-A1	Bi-functional complexes and methods for making and using such complexes	20100416
US-2013281324-A1	Bi-functinal 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-2006233101-A1	Honokiol derivatives for the treatment of proliferative disorders	20050223
AU-2006233101-B2	Honokiol derivatives for the treatment of proliferative disorders	20050223

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.062994177
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.062994177
Rotatable Bond Count:	2
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2