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Chemical ID: 6423383
Chemical ID:
6423383
Name [?]:
1-methyl-2-oxo-pyridine-4-carboxylic acid
SMILES [?]:
Cn1ccc(cc1=O)C(=O)O
InChi [?]:
InChI=1/C7H7NO3/c1-8-3-2-5(7(10)11)4-6(8)9/h2-4H,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,4,3,6,5,7,9,2,8,10,11/E:(10,11)/rA:11nCNCCCCCOCOO/rB:s1;s2;d3;s4;d5;s2s6;d7;s5;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H7NO3 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.19405 |
Area: | 303.924 |
Solvation: | -2.40405 |
Coulombic: | -42.2857 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 153.135 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | -0.44 |
LogP (Chemaxon): | 0.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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