Chemical ID: 3965051

C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-]
Chemical ID:
3965051
Name [?]:
2,3-dihydroxy-5-oxo-hexanedioate
SMILES [?]:
C(C(C(C(=O)[O-])O)O)C(=O)C(=O)[O-]
InChi [?]:
InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,9,3,11,4,8,10,7,12,13,5,6/E:(10,11)(12,13)/rA:13cCCCCOO-OOCOCOO-/rB:s1;s2;s3;d4;s4;s3;s2;s1;d9;s9;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H6O7-2
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:-95.3289
Area:347.846
Solvation:-104.025
Coulombic:-27.8038
Bond Count [?]
All:12
Single:9
Double:3
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:190.108
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:-3.49
LogP (Chemaxon):-0.7

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Descriptor Annotations

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