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821784-56-9 | 1,3-Benzenediol, 5-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]-
CAS No: 821784-56-9 Catalog No: AG00515N MDL No:
Product Description
Catalog Number:
AG00515N
Chemical Name:
1,3-Benzenediol, 5-[[[5-(4-hydroxyphenyl)-3-pyridinyl]amino]methyl]-
CAS Number:
821784-56-9
Molecular Formula:
C18H16N2O3
Molecular Weight:
308.3312
IUPAC Name:
5-[[[5-(4-hydroxyphenyl)pyridin-3-yl]amino]methyl]benzene-1,3-diol
InChI:
InChI=1S/C18H16N2O3/c21-16-3-1-13(2-4-16)14-7-15(11-19-10-14)20-9-12-5-17(22)8-18(23)6-12/h1-8,10-11,20-23H,9H2
InChI Key:
JWHXMIHTTACQGE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1cncc(c1)NCc1cc(O)cc(c1)O
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.116g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
308.337g/mol
Monoisotopic Mass:
308.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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