benzoic acid;copper;hydrate

C7H8CuO3 — CID 174832637

IUPACbenzoic acid;copper;hydrate
SMILESO.O=C(O)c1ccccc1.[Cu]
InChIInChI=1S/C7H6O2.Cu.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;1H2
InChIKeyMSWOLSBZVWKKIL-UHFFFAOYSA-N
MW203.68 g/mol
LogP0.56
Rot. Bonds1

About benzoic acid;copper;hydrate

benzoic acid;copper;hydrate (PubChem CID 174832637) has the molecular formula C7H8CuO3 and a molecular weight of 203.68 g/mol. Its IUPAC name is benzoic acid;copper;hydrate.

Molecular Properties

Compound Namebenzoic acid;copper;hydrate
PubChem CID174832637
Molecular FormulaC7H8CuO3
Molecular Weight203.68 g/mol
Exact Mass202.98
IUPAC Namebenzoic acid;copper;hydrate
SMILESO.O=C(O)c1ccccc1.[Cu]
InChIInChI=1S/C7H6O2.Cu.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;1H2
InChIKeyMSWOLSBZVWKKIL-UHFFFAOYSA-N
XLogP0.56
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.68
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;copper;hydrate?
The IUPAC name of benzoic acid;copper;hydrate (CID 174832637) is benzoic acid;copper;hydrate.
What is the SMILES notation for benzoic acid;copper;hydrate?
The canonical SMILES for benzoic acid;copper;hydrate is O.O=C(O)c1ccccc1.[Cu].
What is the InChIKey of benzoic acid;copper;hydrate?
The InChIKey is MSWOLSBZVWKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.Cu.H2O/c8-7(9)6-4-2-1-3-5-6;;/h1-5H,(H,8,9);;1H2.
What are the key properties of benzoic acid;copper;hydrate?
benzoic acid;copper;hydrate has a molecular weight of 203.68 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;copper;hydrate is sourced from PubChem (CID 174832637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).