2-deuteriopropanoic acid;yttrium

C3H6O2Y — CID 59959349

IUPAC2-deuteriopropanoic acid;yttrium
SMILES[2H]C(C)C(=O)O.[Y]
InChIInChI=1S/C3H6O2.Y/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/i2D;
InChIKeyJWHSHSIDBNVKTJ-YPAXDSTQSA-N
MW163.99 g/mol
LogP0.48
Rot. Bonds1

About 2-deuteriopropanoic acid;yttrium

2-deuteriopropanoic acid;yttrium (PubChem CID 59959349) has the molecular formula C3H6O2Y and a molecular weight of 163.99 g/mol. Its IUPAC name is 2-deuteriopropanoic acid;yttrium.

Molecular Properties

Compound Name2-deuteriopropanoic acid;yttrium
PubChem CID59959349
Molecular FormulaC3H6O2Y
Molecular Weight163.99 g/mol
Exact Mass163.95
IUPAC Name2-deuteriopropanoic acid;yttrium
SMILES[2H]C(C)C(=O)O.[Y]
InChIInChI=1S/C3H6O2.Y/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/i2D;
InChIKeyJWHSHSIDBNVKTJ-YPAXDSTQSA-N
XLogP0.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.99
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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zinc;propanoic acid;dichloride
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3-deuterio-2-oxo(1,2,3,4-13C4)butanoic acid
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2,2,4,4-tetradeuteriopentanoic acid
CID 89368666
alumane;propanoic acid
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nickel;propanoic acid
CID 54601332
2,2,3,3-tetradeuteriobutanedioic acid
CID 12998487
propanoic acid;hydrate
CID 57432895
CID 87066971
CID 87066971
2,3-dideuteriobutanedioic acid
CID 11116041

Frequently Asked Questions

What is the IUPAC name of 2-deuteriopropanoic acid;yttrium?
The IUPAC name of 2-deuteriopropanoic acid;yttrium (CID 59959349) is 2-deuteriopropanoic acid;yttrium.
What is the SMILES notation for 2-deuteriopropanoic acid;yttrium?
The canonical SMILES for 2-deuteriopropanoic acid;yttrium is [2H]C(C)C(=O)O.[Y].
What is the InChIKey of 2-deuteriopropanoic acid;yttrium?
The InChIKey is JWHSHSIDBNVKTJ-YPAXDSTQSA-N. The full InChI is InChI=1S/C3H6O2.Y/c1-2-3(4)5;/h2H2,1H3,(H,4,5);/i2D;.
What are the key properties of 2-deuteriopropanoic acid;yttrium?
2-deuteriopropanoic acid;yttrium has a molecular weight of 163.99 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriopropanoic acid;yttrium is sourced from PubChem (CID 59959349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).