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Chemical ID: 6732871
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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