Chemical ID: 7228426

C1C(CC(CC1C(=O)O)C(=O)[O-])C(=O)O
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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