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29219-03-2

29219-03-2 | 4H-1-Benzopyran-4-one, 3-hydroxy-2-(2-methoxyphenyl)-

CAS No: 29219-03-2 Catalog No: AG002XRE MDL No:MFCD00017666

Product Description

Catalog Number:
AG002XRE
Chemical Name:
4H-1-Benzopyran-4-one, 3-hydroxy-2-(2-methoxyphenyl)-
CAS Number:
29219-03-2
Molecular Formula:
C16H12O4
Molecular Weight:
268.2641
MDL Number:
MFCD00017666
IUPAC Name:
3-hydroxy-2-(2-methoxyphenyl)chromen-4-one
InChI:
InChI=1S/C16H12O4/c1-19-12-8-4-3-7-11(12)16-15(18)14(17)10-6-2-5-9-13(10)20-16/h2-9,18H,1H3
InChI Key:
NOPCFBOJEWSFKO-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1oc2ccccc2c(=O)c1O

Properties

Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.074g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.268g/mol
Monoisotopic Mass:
268.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
Development of flavonoid-based inverse agonists of the key signaling receptor US28 of human cytomegalovirus. Journal of medicinal chemistry 20130627

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