zinc;propanoic acid;dichloride

C3H6Cl2O2Zn — CID 173391175

IUPACzinc;propanoic acid;dichloride
SMILESCCC(=O)O.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C3H6O2.2ClH.Zn/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);2*1H;/q;;;+2/p-2
InChIKeyIWLXTAPDYPGTHC-UHFFFAOYSA-L
MW210.37 g/mol
LogP-5.51
Rot. Bonds1

About zinc;propanoic acid;dichloride

zinc;propanoic acid;dichloride (PubChem CID 173391175) has the molecular formula C3H6Cl2O2Zn and a molecular weight of 210.37 g/mol. Its IUPAC name is zinc;propanoic acid;dichloride.

Molecular Properties

Compound Namezinc;propanoic acid;dichloride
PubChem CID173391175
Molecular FormulaC3H6Cl2O2Zn
Molecular Weight210.37 g/mol
Exact Mass207.90
IUPAC Namezinc;propanoic acid;dichloride
SMILESCCC(=O)O.[Cl-].[Cl-].[Zn+2]
InChIInChI=1S/C3H6O2.2ClH.Zn/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);2*1H;/q;;;+2/p-2
InChIKeyIWLXTAPDYPGTHC-UHFFFAOYSA-L
XLogP-5.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.37
LogP ≤ 5-5.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;propanoic acid;dichloride?
The IUPAC name of zinc;propanoic acid;dichloride (CID 173391175) is zinc;propanoic acid;dichloride.
What is the SMILES notation for zinc;propanoic acid;dichloride?
The canonical SMILES for zinc;propanoic acid;dichloride is CCC(=O)O.[Cl-].[Cl-].[Zn+2].
What is the InChIKey of zinc;propanoic acid;dichloride?
The InChIKey is IWLXTAPDYPGTHC-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H6O2.2ClH.Zn/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);2*1H;/q;;;+2/p-2.
What are the key properties of zinc;propanoic acid;dichloride?
zinc;propanoic acid;dichloride has a molecular weight of 210.37 g/mol, XLogP of -5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;propanoic acid;dichloride is sourced from PubChem (CID 173391175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).