ChemDB: Chemical Search
Download
Chemical ID: 7226511
Chemical ID:
7226511
Name [?]:
cyclobutane-1,1-dicarboxylate
SMILES [?]:
C1CC(C1)(C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C6H8O4/c7-4(8)6(5(9)10)2-1-3-6/h1-3H2,(H,7,8)(H,9,10)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,4,5,8,3,6,7,9,10/E:(2,3)(4,5)(7,8,9,10)/gE:(1,2)/rA:10nCCCCCOO-COO-/rB:s1;s2;s1s3;s3;d5;s5;s3;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6O4-2 |
All Atoms: | 16 |
Heavy Atoms: | 10 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -113.863 |
Area: | 282.149 |
Solvation: | -120.916 |
Coulombic: | 40.1102 |
Bond Count [?]
All: | 10 |
Single: | 8 |
Double: | 2 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.63 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|