Chemical ID: 6732871

Cc1c(cc(c(n1)C)C(=O)[O-])C(=O)[O-]
Chemical ID:
6732871
Name [?]:
2,6-dimethylpyridine-3,5-dicarboxylate
SMILES [?]:
Cc1c(cc(c(n1)C)C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C9H9NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3H,1-2H3,(H,11,12)(H,13,14)/p-2
InChi Info:
AuxInfo=1/1/N:1,8,4,2,6,3,5,12,9,7,13,14,10,11/E:(1,2)(4,5)(6,7)(8,9)(11,12,13,14)/gE:(1,2)/rA:14nCCCCCCNCCOO-COO-/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;d9;s9;s3;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7NO4-2
All Atoms:21
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-98.9151
Area:351.612
Solvation:-107.705
Coulombic:18.3814
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.156
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:-0.33
LogP (Chemaxon):-2.4

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