CAS 19275-68-4 | 4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methylphenyl)- | CAS Number 19275-68-4

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19275-68-4 | 4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methylphenyl)-

CAS No: 19275-68-4 Catalog No: AG002GAJ MDL No:MFCD00208242

Product Description

Catalog Number:

AG002GAJ

Chemical Name:

4H-1-Benzopyran-4-one, 3-hydroxy-2-(4-methylphenyl)-

CAS Number:

19275-68-4

Molecular Formula:

C16H12O3

Molecular Weight:

252.2647

MDL Number:

MFCD00208242

IUPAC Name:

3-hydroxy-2-(4-methylphenyl)chromen-4-one

InChI:

InChI=1S/C16H12O3/c1-10-6-8-11(9-7-10)16-15(18)14(17)12-4-2-3-5-13(12)19-16/h2-9,18H,1H3

InChI Key:

QAHZLNKOVIYDGB-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)c1oc2ccccc2c(=O)c1O

UNII:

ZED9EDX82X

NSC Number:

102042

Properties

Complexity:

391

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.079g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.269g/mol

Monoisotopic Mass:

252.079g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8

Literature

Title	Journal
Design, synthesis and exploring the quantitative structure-activity relationship of some antioxidant flavonoid analogues.	Bioorganic & medicinal chemistry letters 20141101
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Understanding the cardioprotective effects of flavonols: discovery of relaxant flavonols without antioxidant activity.	Journal of medicinal chemistry 20080327
Cerium(IV)-mediated oxidation of flavonol with relevance to flavonol 2,4-dioxygenase. Direct evidence for spin delocalization in the flavonoxy radical.	Journal of inorganic biochemistry 20070601
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501