4-Hydroxy-6-methylcoumarin - CAS 13252-83-0

Catalog:	BB007598
Product Name:	4-Hydroxy-6-methylcoumarin
CAS:	13252-83-0
Synonyms:	4-hydroxy-6-methyl-1-benzopyran-2-one; 4-hydroxy-6-methylchromen-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	4-hydroxy-6-methylchromen-2-one
Description:	4-Hydroxy-6-methylcoumarin (CAS# 13252-83-0) is a useful research chemical.
Molecular Weight:	176.17
Molecular Formula:	C10H8O3
Canonical SMILES:	CC1=CC2=C(C=C1)OC(=O)C=C2O
InChI:	InChI=1S/C10H8O3/c1-6-2-3-9-7(4-6)8(11)5-10(12)13-9/h2-5,11H,1H3
InChI Key:	WIRGBZBGYNIZIB-UHFFFAOYSA-N
Boiling Point:	314.4 °C at 760 mmHg
Density:	1.372 g/cm³
Appearance:	Solid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00085738
LogP:	1.80700

Publication Number	Title	Priority Date
CN-110386998-A	A kind of Coumarins synanthrin derivative and its preparation and application	20190722
CN-110386998-B	Coumarin inulin derivative and preparation and application thereof	20190722
CN-110357891-A	The 2- hydroxypyrrole derivatives and its synthetic method and application that chromone base replaces	20190705
US-10730885-B1	Coumarin derivatives	20190430
CN-108598533-B	Coumarin-based photocyclization crosslinking sulfonated polyimide proton exchange membrane and preparation method thereof	20180425

PMID	Publication Date	Title	Journal
21589625	20101130	A functionalized enol lactone containing a protected α-amino acid	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Benzopyrans

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1353576-61-0]
N-(4-Methyl-2-oxo-2H-chromen-7-yl)palmitamide
[1429939-32-1]
[20-Bis(4-methylphenyl)phosphanyl-2,22-dioxapentacyclo[12.8.0.01,10.03,8.016,21]docosa-3(8),4,6,16(21),17,19-hexaen-4-yl]-bis(4-methylphenyl)phosphane
[182949-89-9]
5-Bromoisochroman
[188826-32-6]
5-Fluoro-4-chromanone
[20921-00-0]
6-Bromochroman-2-one

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:	257
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.047344113
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.047344113
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6