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59728-89-1 | tetra(2-N-methylpyridyl)porphine
CAS No: 59728-89-1 Catalog No: AG00F2H3 MDL No:
Product Description
Catalog Number:
AG00F2H3
Chemical Name:
tetra(2-N-methylpyridyl)porphine
CAS Number:
59728-89-1
IUPAC Name:
5,10,15,20-tetrakis(1-methylpyridin-1-ium-2-yl)-21,23-dihydroporphyrin
InChI:
InChI=1S/C44H37N8/c1-49-25-9-5-13-37(49)41-29-17-19-31(45-29)42(38-14-6-10-26-50(38)2)33-21-23-35(47-33)44(40-16-8-12-28-52(40)4)36-24-22-34(48-36)43(32-20-18-30(41)46-32)39-15-7-11-27-51(39)3/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1
InChI Key:
QCZAJOVYBIIPDI-UHFFFAOYSA-O
Properties
Complexity:
997
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
678.322g/mol
Formal Charge:
4
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
678.844g/mol
Monoisotopic Mass:
678.322g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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