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Chemical ID: 7227152
Chemical ID:
7227152
Name [?]:
2,5-dicarboxybenzene-1,4-dicarboxylate
SMILES [?]:
c1c(c(cc(c1C(=O)[O-])C(=O)O)C(=O)[O-])C(=O)O
InChi [?]:
InChI=1/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/p-2
InChi Info:
AuxInfo=1/1/N:1,4,2,6,3,5,16,7,13,10,17,18,8,9,14,15,11,12/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12,13,14,15,16,17,18)/gE:(1,2,3,4)/rA:18nCCCCCCCOO-COOCOO-COO/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;d10;s10;s3;d13;s13;s2;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H4O8-2 |
All Atoms: | 22 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -98.6419 |
Area: | 402.871 |
Solvation: | -108.714 |
Coulombic: | -29.8608 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -0.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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