cobalt(3+) tribenzoate

C21H15CoO6 — CID 20537733

IUPACcobalt(3+) tribenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Co+3]
InChIInChI=1S/3C7H6O2.Co/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3
InChIKeyKZIFEFSBUCPHNA-UHFFFAOYSA-K
MW422.28 g/mol
LogP0.15
Rot. Bonds3

About cobalt(3+) tribenzoate

cobalt(3+) tribenzoate (PubChem CID 20537733) has the molecular formula C21H15CoO6 and a molecular weight of 422.28 g/mol. Its IUPAC name is cobalt(3+) tribenzoate.

Molecular Properties

Compound Namecobalt(3+) tribenzoate
PubChem CID20537733
Molecular FormulaC21H15CoO6
Molecular Weight422.28 g/mol
Exact Mass422.02
IUPAC Namecobalt(3+) tribenzoate
SMILESO=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Co+3]
InChIInChI=1S/3C7H6O2.Co/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3
InChIKeyKZIFEFSBUCPHNA-UHFFFAOYSA-K
XLogP0.15
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cerium(3+) tribenzoate
CID 6452877
benzoate tetrahydrate
CID 18510013
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
cadmium benzoate
CID 170839001

Frequently Asked Questions

What is the IUPAC name of cobalt(3+) tribenzoate?
The IUPAC name of cobalt(3+) tribenzoate (CID 20537733) is cobalt(3+) tribenzoate.
What is the SMILES notation for cobalt(3+) tribenzoate?
The canonical SMILES for cobalt(3+) tribenzoate is O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Co+3].
What is the InChIKey of cobalt(3+) tribenzoate?
The InChIKey is KZIFEFSBUCPHNA-UHFFFAOYSA-K. The full InChI is InChI=1S/3C7H6O2.Co/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3.
What are the key properties of cobalt(3+) tribenzoate?
cobalt(3+) tribenzoate has a molecular weight of 422.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+) tribenzoate is sourced from PubChem (CID 20537733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).