Chemical ID: 4945072

c1c(cc(cc1C(=O)[O-])C(=O)[O-])C(=O)[OH2+]
Chemical ID:
4945072
Name [?]:
5-oxoniocarbonylbenzene-1,3-dicarboxylate
SMILES [?]:
c1c(cc(cc1C(=O)[O-])C(=O)[O-])C(=O)[OH2+]
InChi [?]:
InChI=1/C9H6O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11)(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,3,5,2,6,4,13,7,10,14,15,8,9,11,12/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12,13,14,15)/gE:(1,2,3)/rA:15nCCCCCCCOO-COO-COO+/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H5O6-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-87.5696
Area:375.038
Solvation:-96.9455
Coulombic:-65.1758
Bond Count [?]
All:15
Single:9
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:209.132
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:-0.09
LogP (Chemaxon):0.59

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Descriptor Annotations

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