Chemical ID: 6706828

c1cc(c(cc1C(=O)[O-])C(=O)[O-])C(=O)[O-]
Chemical ID:
6706828
Name [?]:
benzene-1,2,4-tricarboxylate
SMILES [?]:
c1cc(c(cc1C(=O)[O-])C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C9H6O6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)/p-3
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,13,10,8,9,14,15,11,12/E:(10,11)(12,13)(14,15)/rA:15nCCCCCCCOO-COO-COO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s3;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H3O6-3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-207.779
Area:360.574
Solvation:-216.794
Coulombic:97.5837
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.117
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.58
LogP (Chemaxon):0.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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