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Home > Aldehydes > 114567-98-5
114567-98-5 | Benzaldehyde, 3,3',3''-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris-
CAS No: 114567-98-5 Catalog No: AG000EPT MDL No:
Product Description
Catalog Number:
AG000EPT
Chemical Name:
Benzaldehyde, 3,3',3''-[1,3,5-triazine-2,4,6-triyltris(oxy)]tris-
CAS Number:
114567-98-5
Molecular Formula:
C24H15N3O6
Molecular Weight:
441.3924
IUPAC Name:
3-[[4,6-bis(3-formylphenoxy)-1,3,5-triazin-2-yl]oxy]benzaldehyde
InChI:
InChI=1S/C24H15N3O6/c28-13-16-4-1-7-19(10-16)31-22-25-23(32-20-8-2-5-17(11-20)14-29)27-24(26-22)33-21-9-3-6-18(12-21)15-30/h1-15H
InChI Key:
YECALBKGKDLPBR-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)Oc1nc(Oc2cccc(c2)C=O)nc(n1)Oc1cccc(c1)C=O
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.096g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.399g/mol
Monoisotopic Mass:
441.096g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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