Chemical ID: 6423383

Cn1ccc(cc1=O)C(=O)O
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

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Descriptor Annotations

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