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Home Other Building Blocks 7,8-Dihydroxy-4-phenyl-2H-chromen-2-one

7,8-Dihydroxy-4-phenyl-2H-chromen-2-one

CAS No.:
842-01-3
Catalog Number:
AG008GNW
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
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Product Description
Catalog Number:
AG008GNW
Chemical Name:
7,8-Dihydroxy-4-phenyl-2H-chromen-2-one
CAS Number:
842-01-3
Molecular Formula:
C15H10O4
Molecular Weight:
254.2375
MDL Number:
MFCD02058070
IUPAC Name:
7,8-dihydroxy-4-phenylchromen-2-one
InChI:
InChI=1S/C15H10O4/c16-12-7-6-10-11(9-4-2-1-3-5-9)8-13(17)19-15(10)14(12)18/h1-8,16,18H
InChI Key:
JRVIIPJSVKTPBK-UHFFFAOYSA-N
SMILES:
O=c1cc(c2ccccc2)c2c(o1)c(O)c(cc2)O
Properties
Complexity:
384  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.058g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
254.241g/mol
Monoisotopic Mass:
254.058g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Crystal structures of rat catechol-O-methyltransferase complexed with coumarine-based inhibitor. Biochemical and biophysical research communications 20090116
Properties