Chemical ID: 4116719

c1ccc(c(c1)C#N)C(=O)O
Chemical ID:
4116719
Name [?]:
2-cyanobenzoic acid
SMILES [?]:
c1ccc(c(c1)C#N)C(=O)O
InChi [?]:
InChI=1/C8H5NO2/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4H,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,9,8,10,11/E:(10,11)/rA:11nCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H5NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.37871
Area:301.783
Solvation:-2.16586
Coulombic:-30.9274
Bond Count [?]
All:11
Single:6
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:147.131
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.36
LogP (Chemaxon):1.38

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Descriptor Annotations

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