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Chemical ID: 7090745
Chemical ID:
7090745
Name [?]:
2-(3-pyridyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)c2cccnc2)C(=O)O
InChi [?]:
InChI=1/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,6,3,10,12,7,5,4,13,11,14,15/E:(14,15)/rA:15nCCCCCCCCCCNCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4;d13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9NO2 |
All Atoms: | 24 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.61397 |
Area: | 355.972 |
Solvation: | -2.28535 |
Coulombic: | -33.3307 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 199.205 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.32 |
LogP (Chemaxon): | 0.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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