4-Hydroxy-6-methoxycoumarin - CAS 13252-84-1

Catalog:	BB007599
Product Name:	4-Hydroxy-6-methoxycoumarin
CAS:	13252-84-1
Synonyms:	4-hydroxy-6-methoxy-1-benzopyran-2-one; 4-hydroxy-6-methoxychromen-2-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-hydroxy-6-methoxychromen-2-one
Description:	4-Hydroxy-6-methoxycoumarin (CAS# 13252-84-1) is a useful research chemical.
Molecular Weight:	192.17
Molecular Formula:	C10H8O4
Canonical SMILES:	COC1=CC2=C(C=C1)OC(=O)C=C2O
InChI:	InChI=1S/C10H8O4/c1-13-6-2-3-9-7(4-6)8(11)5-10(12)14-9/h2-5,11H,1H3
InChI Key:	KFXXRRQBVLINPH-UHFFFAOYSA-N
Boiling Point:	403.744 °C at 760 mmHg
Density:	1.412 g/cm³
Storage:	Sealed in dry, Room Temperature
LogP:	1.50720

Publication Number	Title	Priority Date
WO-2021047674-A1	Bicyclic compound that acts as crbn protein regulator	20190912
WO-2020071550-A1	Cdk8 inhibitor and use of same	20181004
JP-WO2020071550-A1	CDK8 Inhibitors and Their Applications	20181004
AU-2018411418-A1	Novel compound and composition for preventing, ameliorating, or treating fibrosis or nonalcoholic steatohepatitis comprising same as active ingredient	20180227
AU-2018411418-B2	Novel compound and composition for preventing, ameliorating, or treating fibrosis or nonalcoholic steatohepatitis comprising same as active ingredient	20180227

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	271
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.04225873
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.04225873
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2