Tetra(4-carboxyphenyl)porphyrinatopalladium

Catalog Number	ACM94288445-3
CAS	94288-44-5
Synonyms	Palladium(II) meso -tetra(4-carboxyphenyl)porphine
Molecular Weight	895.18
Molecular Formula	C48H28N4O8Pd
Canonical SMILES	C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C(=O)O)C8=CC=C(C=C8)C(=O)O)C=C4)C9=CC=C(C=C9)C(=O)O)[N-]3)C(=O)O.[Pd+2]
InChI	InChI=1S/C48H30N4O8.Pd/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58;/h1-24H,(H6,49,50,51,52,53,54,55,56,57,58,59,60);/q;+2/p-2
InChI Key	PRCLVHYMQQEINC-UHFFFAOYSA-L
Purity	98%
Complexity	1820
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Exact Mass	894.09419
Heavy Atom Count	61
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	4
Monoisotopic Mass	894.09419
Rotatable Bond Count	8
Topological Polar Surface Area	176 Ų