3-cyanobenzoic acid;silver

C8H5AgNO2 — CID 88821173

IUPAC3-cyanobenzoic acid;silver
SMILESN#Cc1cccc(C(=O)O)c1.[Ag]
InChIInChI=1S/C8H5NO2.Ag/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,(H,10,11);
InChIKeyZOAXQKFBRTVVSQ-UHFFFAOYSA-N
MW255.00 g/mol
LogP1.25
Rot. Bonds1

About 3-cyanobenzoic acid;silver

3-cyanobenzoic acid;silver (PubChem CID 88821173) has the molecular formula C8H5AgNO2 and a molecular weight of 255.00 g/mol. Its IUPAC name is 3-cyanobenzoic acid;silver.

Molecular Properties

Compound Name3-cyanobenzoic acid;silver
PubChem CID88821173
Molecular FormulaC8H5AgNO2
Molecular Weight255.00 g/mol
Exact Mass253.94
IUPAC Name3-cyanobenzoic acid;silver
SMILESN#Cc1cccc(C(=O)O)c1.[Ag]
InChIInChI=1S/C8H5NO2.Ag/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,(H,10,11);
InChIKeyZOAXQKFBRTVVSQ-UHFFFAOYSA-N
XLogP1.25
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-cyanobenzoic acid;silver?
The IUPAC name of 3-cyanobenzoic acid;silver (CID 88821173) is 3-cyanobenzoic acid;silver.
What is the SMILES notation for 3-cyanobenzoic acid;silver?
The canonical SMILES for 3-cyanobenzoic acid;silver is N#Cc1cccc(C(=O)O)c1.[Ag].
What is the InChIKey of 3-cyanobenzoic acid;silver?
The InChIKey is ZOAXQKFBRTVVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2.Ag/c9-5-6-2-1-3-7(4-6)8(10)11;/h1-4H,(H,10,11);.
What are the key properties of 3-cyanobenzoic acid;silver?
3-cyanobenzoic acid;silver has a molecular weight of 255.00 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyanobenzoic acid;silver is sourced from PubChem (CID 88821173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).