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1254040-46-4 | 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[4-(trifluoromethyl)phenyl]-
CAS No: 1254040-46-4 Catalog No: AG000NMQ MDL No:
Product Description
Catalog Number:
AG000NMQ
Chemical Name:
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
1254040-46-4
Molecular Formula:
C16H9F3O5
Molecular Weight:
338.2349
IUPAC Name:
3,5,7-trihydroxy-2-[4-(trifluoromethyl)phenyl]chromen-4-one
InChI:
InChI=1S/C16H9F3O5/c17-16(18,19)8-3-1-7(2-4-8)15-14(23)13(22)12-10(21)5-9(20)6-11(12)24-15/h1-6,20-21,23H
InChI Key:
WSDFAXFXVNFMSF-UHFFFAOYSA-N
SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.04g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.238g/mol
Monoisotopic Mass:
338.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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