6-(tert-Butyl)-4-hydroxycoumarin - CAS 186255-65-2

Catalog:	BB014286
Product Name:	6-(tert-Butyl)-4-hydroxycoumarin
CAS:	186255-65-2
Synonyms:	6-tert-butyl-4-hydroxy-1-benzopyran-2-one; 6-tert-butyl-4-hydroxychromen-2-one

Technical Data

Patents

Computed Properties

IUPAC Name:	6-tert-butyl-4-hydroxychromen-2-one
Description:	6-(tert-Butyl)-4-hydroxycoumarin (CAS# 186255-65-2 ) is a useful research chemical.
Molecular Weight:	218.25
Molecular Formula:	C13H14O3
Canonical SMILES:	CC(C)(C)C1=CC2=C(C=C1)OC(=O)C=C2O
InChI:	InChI=1S/C13H14O3/c1-13(2,3)8-4-5-11-9(6-8)10(14)7-12(15)16-11/h4-7,14H,1-3H3
InChI Key:	QYVPFJSASWKPHT-UHFFFAOYSA-N
Boiling Point:	369.1 °C at 760 mmHg
Density:	1.22 g/cm³
LogP:	2.79610

Publication Number	Title	Priority Date
US-5968940-A	Retinoids and methods of use of same	19950608
AU-704273-B2	Retinoids and methods of use of same	19950607
CA-2223718-A1	Retinoids and methods of use of same	19950607
EP-0850233-A1	Retinoids and methods of use of same	19950607
JP-2001513070-A	Retinoids and methods of using the same	19950607

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Complexity:	325
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.094294304
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	218.094294304
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9