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823814-68-2 | Benzoic acid, 3,5-bis(4-amino-3-hydroxyphenoxy)-, phenyl ester
CAS No: 823814-68-2 Catalog No: AG004X1K MDL No:
Product Description
Catalog Number:
AG004X1K
Chemical Name:
Benzoic acid, 3,5-bis(4-amino-3-hydroxyphenoxy)-, phenyl ester
CAS Number:
823814-68-2
Molecular Formula:
C25H20N2O6
Molecular Weight:
444.4361
IUPAC Name:
phenyl 3,5-bis(4-amino-3-hydroxyphenoxy)benzoate
InChI:
InChI=1S/C25H20N2O6/c26-21-8-6-17(13-23(21)28)31-19-10-15(25(30)33-16-4-2-1-3-5-16)11-20(12-19)32-18-7-9-22(27)24(29)14-18/h1-14,28-29H,26-27H2
InChI Key:
HMPKEIYEZDXRRX-UHFFFAOYSA-N
SMILES:
O=C(c1cc(cc(c1)Oc1ccc(c(c1)O)N)Oc1ccc(c(c1)O)N)Oc1ccccc1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.132g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
444.443g/mol
Monoisotopic Mass:
444.132g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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