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Chemical ID: 6048078
Chemical ID:
6048078
Name [?]:
2,4-dimethylpyridine-3-carboxylic acid
SMILES [?]:
Cc1ccnc(c1C(=O)O)C
InChi [?]:
InChI=1/C8H9NO2/c1-5-3-4-9-6(2)7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,11,3,4,2,6,7,8,5,9,10/E:(10,11)/rA:11nCCCCNCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9NO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.75546 |
Area: | 304.578 |
Solvation: | -1.85898 |
Coulombic: | -31.6178 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 151.163 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.14 |
LogP (Chemaxon): | -1.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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