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291759-05-2 | 4H-1-Benzopyran-4-one-6,8-d2, 7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-
CAS No: 291759-05-2 Catalog No: AG002XKF MDL No:
Product Description
Catalog Number:
AG002XKF
Chemical Name:
4H-1-Benzopyran-4-one-6,8-d2, 7-hydroxy-3-(4-hydroxyphenyl-2,3,5,6-d4)-
CAS Number:
291759-05-2
Molecular Formula:
C15H4D6O4
Molecular Weight:
260.2745
IUPAC Name:
6,8-dideuterio-7-hydroxy-3-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
InChI:
InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H/i1D,2D,3D,4D,5D,7D
InChI Key:
ZQSIJRDFPHDXIC-UMCLXPAOSA-N
SMILES:
Oc1c([2H])c([2H])c(c(c1[2H])[2H])c1coc2c(c1=O)cc(c(c2[2H])O)[2H]
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.096g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
6
Molecular Weight:
260.278g/mol
Monoisotopic Mass:
260.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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