7-methoxy-4-methylcoumarin - CAS 2555-28-4

Catalog:	BB018948
Product Name:	7-methoxy-4-methylcoumarin
CAS:	2555-28-4
Synonyms:	7-Methoxy-4-methyl-2H-chromen-2-one; 4-Methylherniarin

Technical Data

Patents

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Computed Properties

IUPAC Name:	7-methoxy-4-methylchromen-2-one
Description:	7-Methoxy-4-methylcoumarin (CAS# 2555-28-4) is a compound useful in organic synthesis.
Molecular Weight:	190.20
Molecular Formula:	C11H10O3
Canonical SMILES:	CC1=CC(=O)OC2=C1C=CC(=C2)OC
InChI:	InChI=1S/C11H10O3/c1-7-5-11(12)14-10-6-8(13-2)3-4-9(7)10/h3-6H,1-2H3
InChI Key:	UDFPKNSWSYBIHO-UHFFFAOYSA-N
Boiling Point:	340.1 °C at 760 mmHg
Melting Point:	159 °C
Density:	1.195 g/cm³
LogP:	2.11000

Publication Number	Title	Priority Date
WO-2020115661-A1	FLUORINATED 4' ALKYLUMBELLIFERYL Î±-D-GLUCOPYRANOSIDES, BIOLOGICAL STERILIZATION INDICATORS INCLUDING THE SAME AND METHODS OF USING THE SAME	20181206
EP-3686632-A1	Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry	20171002
US-2020333474-A1	Radiation dosimetry sol or gel and radiation dosimeter comprising same as material for radiation dosimetry	20171002
EP-3635115-A1	Glutamine dehydrogenase inhibitors for use in muscle regeneration	20170609
US-2020188431-A1	Glutamine dehydrogenase inhibitors for use in muscle regeneration	20170609

PMID	Publication Date	Title	Journal
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22736369	20120601	A new nonpeptide substrate of human sirtuin in a capillary electrophoresis-based assay. Investigation of the binding mode by docking experiments	Electrophoresis
21821735	20111101	Cannabidiol, a major phytocannabinoid, as a potent atypical inhibitor for CYP2D6	Drug metabolism and disposition: the biological fate of chemicals
20345925	20100401	Cytochrome P450 2D6 enzyme neuroprotects against 1-methyl-4-phenylpyridinium toxicity in SH-SY5Y neuronal cells	The European journal of neuroscience
19858067	20100201	Effects of cytochrome P450 inhibitors on the biotransformation of fluorogenic substrates by adult male rat liver microsomes and cDNA-expressed rat cytochrome P450 isoforms	Toxicological sciences : an official journal of the Society of Toxicology

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Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.062994177
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.062994177
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2