indigane;propanoic acid

C3H9InO2 — CID 173208103

IUPACindigane;propanoic acid
SMILESCCC(=O)O.[InH3]
InChIInChI=1S/C3H6O2.In.3H/c1-2-3(4)5;;;;/h2H2,1H3,(H,4,5);;;;
InChIKeyKGCCFCMQSACTAM-UHFFFAOYSA-N
MW191.92 g/mol
LogP-0.70
Rot. Bonds1

About indigane;propanoic acid

indigane;propanoic acid (PubChem CID 173208103) has the molecular formula C3H9InO2 and a molecular weight of 191.92 g/mol. Its IUPAC name is indigane;propanoic acid.

Molecular Properties

Compound Nameindigane;propanoic acid
PubChem CID173208103
Molecular FormulaC3H9InO2
Molecular Weight191.92 g/mol
Exact Mass191.96
IUPAC Nameindigane;propanoic acid
SMILESCCC(=O)O.[InH3]
InChIInChI=1S/C3H6O2.In.3H/c1-2-3(4)5;;;;/h2H2,1H3,(H,4,5);;;;
InChIKeyKGCCFCMQSACTAM-UHFFFAOYSA-N
XLogP-0.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.92
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of indigane;propanoic acid?
The IUPAC name of indigane;propanoic acid (CID 173208103) is indigane;propanoic acid.
What is the SMILES notation for indigane;propanoic acid?
The canonical SMILES for indigane;propanoic acid is CCC(=O)O.[InH3].
What is the InChIKey of indigane;propanoic acid?
The InChIKey is KGCCFCMQSACTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.In.3H/c1-2-3(4)5;;;;/h2H2,1H3,(H,4,5);;;;.
What are the key properties of indigane;propanoic acid?
indigane;propanoic acid has a molecular weight of 191.92 g/mol, XLogP of -0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for indigane;propanoic acid is sourced from PubChem (CID 173208103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).