AG006U0O

14609-54-2 | meso-Tetra(4-carboxyphenyl)porphine

AG006U0O

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CAS Number	14609-54-2
Catalog Number	AG006U0O(AGN-PC-0LQXK7)
Chemical Name	meso-Tetra(4-carboxyphenyl)porphine
IUPAC Name	4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
InChI	InChI=1S/C48H30N4O8/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/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)
InChI Key	HHDUMDVQUCBCEY-UHFFFAOYSA-N
MDL Number	MFCD00064860
Molecular Formula	C48H30N4O8
Molecular Weight	790.7738
SMILES	O=C(O)C1=CC=C(C2=C3C=CC(C(C4=CC=C(C=C4)C(O)=O)=C5C=CC(N5)=C(C6=CC=C(C=C6)C(O)=O)C(C=C7)=NC7=C(C8=CC=C(C=C8)C(O)=O)C9=CC=C2N9)=N3)C=C1
UNII	E9892W6IMC
Synonyms	meso-tetra-(4-carboxyphenyl)porphine, TCPP, tetracarboxyphenylporphine, 14609-54-2, meso-Tetra(4-carboxyphenyl)porphine, 4,4,4,4-(POrphine-5,10,15,20-tetrayl)tetrakis(benzoic acid), Tetrakis(4-carboxyphenyl)porphyrin, UNII-E9892W6IMC, E9892W6IMC, 5,10,15,20-Tetrakis(4-carboxyphenyl)-21H,23H-porphine, MFCD00064860, MTCPP, SCHEMBL709532, tetra(4-carboxyphenyl)porphine, CCRIS 8701, CHEMBL374342, HHDUMDVQUCBCEY-UHFFFAOYSA-N, BCP10890, KS-000016YP, meso-Tetra-(4-carboxyphenyl)porphine, LS41395, ML01014, AK306931, BC259950, DS-11293, 5,10,15,20-tetra(4-carboxyphenyl)porphine, 5-10-15-20-(tetra-4-carboxyphenyl)porphyrin, 609T542, I14-106962, Nickel ionophore II, Selectophore(TM), function tested, Mtcpp;Aids006254;Aids-006254;NICKEL IONOPHORE II;RARECHEM, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-Benzoicacid, 4,4',4'',4'''-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid), Dye content 75 %, Benzoic acid, 4,4',4'',4'''-(21H,23H-porphine-5,10,15,20-tetrayl)tetrakis-, 4,4 inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka inverted exclamation marka-(Porphine-5,10,15,20-tetrayl)tetrakis(benzoic acid), 4-[(1Z,4Z,9Z,15Z)-10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid, meso-Tetraphenylporphine-4,4 inverted exclamation marka,4 inverted exclamation marka,4 inverted exclamation marka inverted exclamation marka-tetracarboxylic acid, TCPP[=Tetrakis(4-carboxyphenyl)porphyrin][Ultra-highsensitivespectrophotometricreagentforCu,Cd][ForthesimultaneousdeterminationofmetalsbyHPLC], TCPP, Nickel ionophore II, Tetracarboxyphenylporphine, A5015, 4-[10,15,20-tris(4-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid, 4-[7,12,17-tris(4-Carboxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3(24),4,6,8,10,12,14,16(22),17,19-undecaen-2-yl]benzoic acid,

Complexity	1310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	790.206g/mol
Formal Charge	0
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	10
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	790.788g/mol
Monoisotopic Mass	790.206g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	207A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	8.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number