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87578-89-0 | Benzoic acid, 3,4-bis[[(2-hydroxyphenyl)methylene]amino]-
CAS No: 87578-89-0 Catalog No: AG004MC7 MDL No:
Product Description
Catalog Number:
AG004MC7
Chemical Name:
Benzoic acid, 3,4-bis[[(2-hydroxyphenyl)methylene]amino]-
CAS Number:
87578-89-0
Molecular Formula:
C21H16N2O4
Molecular Weight:
360.3627
IUPAC Name:
3,4-bis[(2-hydroxyphenyl)methylideneamino]benzoic acid
InChI:
InChI=1S/C21H16N2O4/c24-19-7-3-1-5-15(19)12-22-17-10-9-14(21(26)27)11-18(17)23-13-16-6-2-4-8-20(16)25/h1-13,24-25H,(H,26,27)
InChI Key:
QTBDMPNGRTYCTK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)N=Cc1ccccc1O)N=Cc1ccccc1O
Properties
Complexity:
550
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.111g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
360.369g/mol
Monoisotopic Mass:
360.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| A novel artificial superoxide dismutase: non-covalent conjugation of albumin with a Mn(III) salophen type complex. | European journal of medicinal chemistry 20110301 |
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