cadmium benzoate

C7H5CdO2- — CID 170839001

IUPACcadmium benzoate
SMILESO=C([O-])c1ccccc1.[Cd]
InChIInChI=1S/C7H6O2.Cd/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/p-1
InChIKeyDMDIGAARHVCCQF-UHFFFAOYSA-M
MW233.53 g/mol
LogP0.05
Rot. Bonds1

About cadmium benzoate

cadmium benzoate (PubChem CID 170839001) has the molecular formula C7H5CdO2- and a molecular weight of 233.53 g/mol. Its IUPAC name is cadmium benzoate.

Molecular Properties

Compound Namecadmium benzoate
PubChem CID170839001
Molecular FormulaC7H5CdO2-
Molecular Weight233.53 g/mol
Exact Mass234.93
IUPAC Namecadmium benzoate
SMILESO=C([O-])c1ccccc1.[Cd]
InChIInChI=1S/C7H6O2.Cd/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/p-1
InChIKeyDMDIGAARHVCCQF-UHFFFAOYSA-M
XLogP0.05
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.53
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
cobalt(3+) tribenzoate
CID 20537733
aluminum dibenzoate
CID 18679092
copper tribenzoate
CID 158096746
ruthenium(4+) tetrabenzoate
CID 173321421
calcium dibenzoate
CID 90470399
cadmium(2+) benzoate
CID 22051861
platinum(4+) tetrabenzoate
CID 173022810
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646
barium(2+) benzoate
CID 22608800

Frequently Asked Questions

What is the IUPAC name of cadmium benzoate?
The IUPAC name of cadmium benzoate (CID 170839001) is cadmium benzoate.
What is the SMILES notation for cadmium benzoate?
The canonical SMILES for cadmium benzoate is O=C([O-])c1ccccc1.[Cd].
What is the InChIKey of cadmium benzoate?
The InChIKey is DMDIGAARHVCCQF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.Cd/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/p-1.
What are the key properties of cadmium benzoate?
cadmium benzoate has a molecular weight of 233.53 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cadmium benzoate is sourced from PubChem (CID 170839001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).