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Lithium phthalocyanine

CAT: 0024-sc-269340Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-269340Size:1 g
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CAS Number
25510-41-2

Chemical Information

29H,31H-Phthalocyanine, lithium salt (1:2)
CAS Number25510-41-2
PubChem CID168378
IUPAC Namedilithium;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 FormulaC32H16Li2N8
Molecular Weight526.5
Topological Polar Surface Area79.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Heavy Atom Count42
Formal Charge0
Complexity709
SMILES
[Li+].[Li+].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
InChI
InChI=1S/C32H16N8.2Li/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;;/q-2;2*+1
InChIKey
HQQKMOJOCZFMSV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 29H,31H-Phthalocyanine, lithium salt (1:2)
CAS: 25510-41-2
CID: 168378
Formula: C32H16Li2N8
MW: 526.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight526.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count0
Exact Mass526.18179941
Monoisotopic Mass526.18179941
Topological Polar Surface Area79.3 Ų
Heavy Atom Count42
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
L04415-01Lithium phthalocyanine
HY-121310-01Phthalocyanine
462429Zinc phthalocyanine
MBS3845527-01Cobalt phthalocyanine
OR1012645-01Chloroaluminum Phthalocyanine
90026998Iron phthalocyanine
S06870-01Sodium phthalocyanine
FD62482-01Dilithium phthalocyanine
326808Phthalocyanine Chloroaluminum

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