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Chemical ID: 7235730
Chemical ID:
7235730
Name [?]:
2,4,6-tricarboxybenzene-1,3,5-tricarboxylate
SMILES [?]:
c1(c(c(c(c(c1C(=O)[O-])C(=O)O)C(=O)[O-])C(=O)O)C(=O)[O-])C(=O)O
InChi [?]:
InChI=1/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)/p-3
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,22,19,7,16,10,13,23,24,20,21,8,9,17,18,11,12,14,15/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(13,14,15,16,17,18,19,20,21,22,23,24)/gE:(1,2,3,4,5,6)/rA:24nCCCCCCCOO-COOCOO-COOCOO-COO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;d10;s10;s4;d13;s13;s3;d16;s16;s2;d19;s19;s1;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H3O12-3 |
All Atoms: | 27 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -185.129 |
Area: | 446.018 |
Solvation: | -196.28 |
Coulombic: | -8.68573 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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