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1446712-19-1 | 4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-2-[4-(trifluoromethyl)phenyl]-
CAS No: 1446712-19-1 Catalog No: AG001JYQ MDL No:MFCD28975329
Product Description
Catalog Number:
AG001JYQ
Chemical Name:
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-8-(3-methyl-2-buten-1-yl)-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
1446712-19-1
Molecular Formula:
C21H17F3O5
Molecular Weight:
406.3519
MDL Number:
MFCD28975329
IUPAC Name:
3,5,7-trihydroxy-8-(3-methylbut-2-enyl)-2-[4-(trifluoromethyl)phenyl]chromen-4-one
InChI:
InChI=1S/C21H17F3O5/c1-10(2)3-8-13-14(25)9-15(26)16-17(27)18(28)19(29-20(13)16)11-4-6-12(7-5-11)21(22,23)24/h3-7,9,25-26,28H,8H2,1-2H3
InChI Key:
OXHMDMVBLQNMGP-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)cc(c2c1oc(c1ccc(cc1)C(F)(F)F)c(c2=O)O)O)C
UNII:
IGR70EL9VZ
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.103g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
406.357g/mol
Monoisotopic Mass:
406.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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