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58356-65-3 | MANGANESE(III) ACETATE MESO-TETRAPHENYLPORPHINE
CAS No: 58356-65-3 Catalog No: AG003RG8 MDL No:MFCD00216548
Product Description
Catalog Number:
AG003RG8
Chemical Name:
MANGANESE(III) ACETATE MESO-TETRAPHENYLPORPHINE
CAS Number:
58356-65-3
Molecular Formula:
C46H31MnN4O2
Molecular Weight:
726.7020
MDL Number:
MFCD00216548
IUPAC Name:
acetic acid;manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
InChI:
InChI=1S/C44H28N4.C2H4O2.Mn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-2(3)4;/h1-28H;1H3,(H,3,4);/q-2;;+2
InChI Key:
UFMFSWMECMUSKE-UHFFFAOYSA-N
SMILES:
CC(=O)O[Mn]1n2c3ccc2/C(=C\2/C=CC(=N2)/C(=c/2\n1/c(=C(\C1=N/C(=C\3/c3ccccc3)/C=C1)/c1ccccc1)/cc2)/c1ccccc1)/c1ccccc1
Properties
Complexity:
1370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
727.191g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
727.726g/mol
Monoisotopic Mass:
727.191g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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