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Chemical ID: 3968349
Chemical ID:
3968349
Name [?]:
pyridine-2,3-dicarboxylic acid
SMILES [?]:
c1cc(c(nc1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,4,10,7,5,11,12,8,9/E:(9,10)(11,12)/rA:12nCCCCNCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s3;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5NO4 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.85779 |
Area: | 310.308 |
Solvation: | -2.89992 |
Coulombic: | -59.4376 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 167.119 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | -2.08 |
LogP (Chemaxon): | -0.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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