benzoic acid;copper;dihydrate

C14H16CuO6 — CID 91886363

IUPACbenzoic acid;copper;dihydrate
SMILESO.O.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cu]
InChIInChI=1S/2C7H6O2.Cu.2H2O/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;2*1H2
InChIKeyISWDCUQVGBPHEP-UHFFFAOYSA-N
MW343.82 g/mol
LogP1.12
Rot. Bonds2

About benzoic acid;copper;dihydrate

benzoic acid;copper;dihydrate (PubChem CID 91886363) has the molecular formula C14H16CuO6 and a molecular weight of 343.82 g/mol. Its IUPAC name is benzoic acid;copper;dihydrate.

Molecular Properties

Compound Namebenzoic acid;copper;dihydrate
PubChem CID91886363
Molecular FormulaC14H16CuO6
Molecular Weight343.82 g/mol
Exact Mass343.02
IUPAC Namebenzoic acid;copper;dihydrate
SMILESO.O.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cu]
InChIInChI=1S/2C7H6O2.Cu.2H2O/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;2*1H2
InChIKeyISWDCUQVGBPHEP-UHFFFAOYSA-N
XLogP1.12
TPSA137.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze benzoic acid;copper;dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzoic acid;copper;hydrate
CID 174832637
benzoic acid;trihydrate
CID 157398339
benzoic acid;zinc;hydrate
CID 70433930
benzoic acid;titanium;dihydrate
CID 173067464
benzoic acid;copper;hydrobromide
CID 66872398
benzoic acid;trihydrate;dihydrochloride
CID 141054902
CID 87090637
CID 87090637
benzoic acid;zirconium
CID 173089080
benzoic acid;chromium
CID 139063467
CID 87293530
CID 87293530
Lithium benzoate, 99%
CID 57451198
benzoic acid;λ2-plumbane
CID 174927932

Frequently Asked Questions

What is the IUPAC name of benzoic acid;copper;dihydrate?
The IUPAC name of benzoic acid;copper;dihydrate (CID 91886363) is benzoic acid;copper;dihydrate.
What is the SMILES notation for benzoic acid;copper;dihydrate?
The canonical SMILES for benzoic acid;copper;dihydrate is O.O.O=C(O)c1ccccc1.O=C(O)c1ccccc1.[Cu].
What is the InChIKey of benzoic acid;copper;dihydrate?
The InChIKey is ISWDCUQVGBPHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2.Cu.2H2O/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;2*1H2.
What are the key properties of benzoic acid;copper;dihydrate?
benzoic acid;copper;dihydrate has a molecular weight of 343.82 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;copper;dihydrate is sourced from PubChem (CID 91886363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).