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Chemical ID: 7228426
Chemical ID:
7228426
Name [?]:
3,5-dicarboxycyclohexane-1-carboxylate
SMILES [?]:
C1C(CC(CC1C(=O)O)C(=O)[O-])C(=O)O
InChi [?]:
InChI=1/C9H12O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h4-6H,1-3H2,(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:15cCCCCCCCOOCOO-COO/rB:s1;s2;s3;s4;s1s5;s6;d7;s7;s4;d10;s10;s2;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11O6- |
All Atoms: | 26 |
Heavy Atoms: | 15 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -34.1161 |
Area: | 377.805 |
Solvation: | -43.5612 |
Coulombic: | -50.7979 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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