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Magnesium phthalocyanine

Catalog Number ACM1661036-4
CAS 1661-03-6
Structure Magnesium phthalocyanine
Synonyms Phthalocyanine magnesium(II)
IUPAC Name magnesium;2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Molecular Weight 554.8
Molecular Formula C32H18MgN8O
Canonical SMILES C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O.[Mg+2]
InChI InChI=1S/C32H16N8.Mg.H2O/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25;/h1-16H;1H2/q-2;+2;
InChI Key HTNHYCHFBSVBID-UHFFFAOYSA-N
Purity 95%+
Appearance Powder
Complexity 1080
Covalently-Bonded Unit Count 2
EC Number 216-766-6
Exact Mass 554.1453989
Heavy Atom Count 41
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
Monoisotopic Mass 554.1453989
Rotatable Bond Count 0
Topological Polar Surface Area 77.2

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