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Pyromellitic diimide

CAT: 0024-sc-236526Size: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-236526Size:25 g
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CAS Number
2550-73-4

Chemical Information

Benzo(1,2-c:4,5-c')dipyrrole-1,3,5,7(2H,6H)-tetrone

RN given refers to parent cpd

CAS Number2550-73-4
PubChem CID75696
IUPAC Namepyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
Molecular FormulaC10H4N2O4
Molecular Weight216.15
XLogP-0.5
Topological Polar Surface Area92.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity355
SMILES
C1=C2C(=CC3=C1C(=O)NC3=O)C(=O)NC2=O
InChI
InChI=1S/C10H4N2O4/c13-7-3-1-4-6(10(16)12-8(4)14)2-5(3)9(15)11-7/h1-2H,(H,11,13,15)(H,12,14,16)
InChIKey
UGQZLDXDWSPAOM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzo(1,2-c:4,5-c')dipyrrole-1,3,5,7(2H,6H)-tetrone
CAS: 2550-73-4
CID: 75696
Formula: C10H4N2O4
MW: 216.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight216.15
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass216.01710661
Monoisotopic Mass216.01710661
Topological Polar Surface Area92.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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