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138006-23-2 | 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-hydroxyphenyl)-
CAS No: 138006-23-2 Catalog No: AG0017TT MDL No:
Product Description
Catalog Number:
AG0017TT
Chemical Name:
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tris(4-hydroxyphenyl)-
CAS Number:
138006-23-2
Molecular Formula:
C21H15N3O6
Molecular Weight:
405.3603
IUPAC Name:
1,3,5-tris(4-hydroxyphenyl)-1,3,5-triazinane-2,4,6-trione
InChI:
InChI=1S/C21H15N3O6/c25-16-7-1-13(2-8-16)22-19(28)23(14-3-9-17(26)10-4-14)21(30)24(20(22)29)15-5-11-18(27)12-6-15/h1-12,25-27H
InChI Key:
POVXNJNMCOXEEL-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1c(=O)n(c2ccc(cc2)O)c(=O)n(c1=O)c1ccc(cc1)O
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.096g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
405.366g/mol
Monoisotopic Mass:
405.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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