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Chemical ID: 6494460
Chemical ID:
6494460
Name [?]:
hexanedioate
SMILES [?]:
C(CCC(=O)[O-])CC(=O)[O-]
InChi [?]:
InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,7,3,8,4,9,10,5,6/E:(1,2)(3,4)(5,6)(7,8,9,10)/gE:(1,2)/rA:10nCCCCOO-CCOO-/rB:s1;s2;s3;d4;s4;s1;s7;d8;s8;/rC:;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8O4-2 |
All Atoms: | 10 |
Heavy Atoms: | 10 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -98.1081 |
Area: | 319.361 |
Solvation: | -106.092 |
Coulombic: | 24.7462 |
Bond Count [?]
All: | 9 |
Single: | 7 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 144.125 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | -0.96 |
LogP (Chemaxon): | 0.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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