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Chemical ID: 6529544
Chemical ID:
6529544
Name [?]:
isoindole-1,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)[N-]C2=O
InChi [?]:
InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-4H,(H,9,10,11)/p-1
InChi Info:
AuxInfo=1/5/N:1,2,6,3,5,4,7,10,9,8,11/E:(1,2)(3,4)(5,6)(7,8)(10,11)/rA:11nCCCCCCCON-CO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4NO2- |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -27.8129 |
Area: | 291.642 |
Solvation: | -35.1039 |
Coulombic: | 5.16856 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 146.123 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.1 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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