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823814-64-8 | Benzoic acid, 3,5-bis(4-amino-3-hydroxyphenoxy)-, 3-pyridinyl ester
CAS No: 823814-64-8 Catalog No: AG005C36 MDL No:
Product Description
Catalog Number:
AG005C36
Chemical Name:
Benzoic acid, 3,5-bis(4-amino-3-hydroxyphenoxy)-, 3-pyridinyl ester
CAS Number:
823814-64-8
Molecular Formula:
C24H19N3O6
Molecular Weight:
445.4242
IUPAC Name:
pyridin-3-yl 3,5-bis(4-amino-3-hydroxyphenoxy)benzoate
InChI:
InChI=1S/C24H19N3O6/c25-20-5-3-15(11-22(20)28)31-18-8-14(24(30)33-17-2-1-7-27-13-17)9-19(10-18)32-16-4-6-21(26)23(29)12-16/h1-13,28-29H,25-26H2
InChI Key:
VEKKHKOLSGHZRX-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)Oc1ccc(c(c1)O)N)Oc1ccc(c(c1)O)N)Oc1cccnc1
Properties
Complexity:
603
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.127g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
445.431g/mol
Monoisotopic Mass:
445.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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