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Protoporphyrin IX dimethyl ester

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Standard English name
Cas No. 5522-66-7
Alias dimethyl 3,3'-(3,7,12,17-tetramethyl-8,13-divinylporphyrin-2,18-diyl)dipropionate
Canonical Smiles CC1=C(C=C)C2C=C3NC(=CC4=NC(=CC5NC(C=C1N=2)=C(C)C=5CCC(=O)OC)C(CCC(=O)OC)=C4C)C(C=C)=C3C
MDL No. MFCD29047709
Exact Mass 590.28931
Smiles O=C(OC)CCC1=C2/C=C3C(CCC(OC)=O)=C(C)C(/C=C(N/4)/C(C=C)=C(C)C4=C\C5=N/C(C(C)=C5C=C)=C\C(N2)=C1C)=N/3
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Character
Storage Condition
Melting Point 225-228 °C(lit.)
Boiling Point 1017.0±65.0 °C(Predicted)
Flash Point
Chemical Stability
Density 1.220±0.06 g/cm3(Predicted)
Vapor Pressure
GHS
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Feature
Useage
Inchi InChI=1S/C36H38N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h9-10,15-18,38-39H,1-2,11-14H2,3-8H3/b27-15-,28-15?,29-16-,30-17?,31-16?,32-17-,33-18?,34-18-
InchiKey XNCGCBXDDMJCKW-FBFGEKRASA-N
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