indium(1+);propanoate

C3H7InO2 — CID 101213769

IUPACindium(1+);propanoate
SMILESCCC(=O)[O-].[InH2+]
InChIInChI=1S/C3H6O2.In.2H/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);;;/q;+1;;/p-1
InChIKeyUMOBBEULOHOZNE-UHFFFAOYSA-M
MW189.90 g/mol
LogP-1.77
Rot. Bonds1

About indium(1+);propanoate

indium(1+);propanoate (PubChem CID 101213769) has the molecular formula C3H7InO2 and a molecular weight of 189.90 g/mol. Its IUPAC name is indium(1+);propanoate.

Molecular Properties

Compound Nameindium(1+);propanoate
PubChem CID101213769
Molecular FormulaC3H7InO2
Molecular Weight189.90 g/mol
Exact Mass189.95
IUPAC Nameindium(1+);propanoate
SMILESCCC(=O)[O-].[InH2+]
InChIInChI=1S/C3H6O2.In.2H/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);;;/q;+1;;/p-1
InChIKeyUMOBBEULOHOZNE-UHFFFAOYSA-M
XLogP-1.77
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.90
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of indium(1+);propanoate?
The IUPAC name of indium(1+);propanoate (CID 101213769) is indium(1+);propanoate.
What is the SMILES notation for indium(1+);propanoate?
The canonical SMILES for indium(1+);propanoate is CCC(=O)[O-].[InH2+].
What is the InChIKey of indium(1+);propanoate?
The InChIKey is UMOBBEULOHOZNE-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6O2.In.2H/c1-2-3(4)5;;;/h2H2,1H3,(H,4,5);;;/q;+1;;/p-1.
What are the key properties of indium(1+);propanoate?
indium(1+);propanoate has a molecular weight of 189.90 g/mol, XLogP of -1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for indium(1+);propanoate is sourced from PubChem (CID 101213769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).