propanoic acid;yttrium

C6H12O4Y — CID 59015039

IUPACpropanoic acid;yttrium
SMILESCCC(=O)O.CCC(=O)O.[Y]
InChIInChI=1S/2C3H6O2.Y/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);
InChIKeyWBRRGSUBYDWHAX-UHFFFAOYSA-N
MW237.06 g/mol
LogP0.96
Rot. Bonds2

About propanoic acid;yttrium

propanoic acid;yttrium (PubChem CID 59015039) has the molecular formula C6H12O4Y and a molecular weight of 237.06 g/mol. Its IUPAC name is propanoic acid;yttrium.

Molecular Properties

Compound Namepropanoic acid;yttrium
PubChem CID59015039
Molecular FormulaC6H12O4Y
Molecular Weight237.06 g/mol
Exact Mass236.98
IUPAC Namepropanoic acid;yttrium
SMILESCCC(=O)O.CCC(=O)O.[Y]
InChIInChI=1S/2C3H6O2.Y/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);
InChIKeyWBRRGSUBYDWHAX-UHFFFAOYSA-N
XLogP0.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propanoic acid;yttrium?
The IUPAC name of propanoic acid;yttrium (CID 59015039) is propanoic acid;yttrium.
What is the SMILES notation for propanoic acid;yttrium?
The canonical SMILES for propanoic acid;yttrium is CCC(=O)O.CCC(=O)O.[Y].
What is the InChIKey of propanoic acid;yttrium?
The InChIKey is WBRRGSUBYDWHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H6O2.Y/c2*1-2-3(4)5;/h2*2H2,1H3,(H,4,5);.
What are the key properties of propanoic acid;yttrium?
propanoic acid;yttrium has a molecular weight of 237.06 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoic acid;yttrium is sourced from PubChem (CID 59015039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).