2-methoxypropanoic acid;zirconium

C4H8O3Zr — CID 174567743

IUPAC2-methoxypropanoic acid;zirconium
SMILESCOC(C)C(=O)O.[Zr]
InChIInChI=1S/C4H8O3.Zr/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyLLPIAMJYQMRJII-UHFFFAOYSA-N
MW195.33 g/mol
LogP0.10
Rot. Bonds2

About 2-methoxypropanoic acid;zirconium

2-methoxypropanoic acid;zirconium (PubChem CID 174567743) has the molecular formula C4H8O3Zr and a molecular weight of 195.33 g/mol. Its IUPAC name is 2-methoxypropanoic acid;zirconium.

Molecular Properties

Compound Name2-methoxypropanoic acid;zirconium
PubChem CID174567743
Molecular FormulaC4H8O3Zr
Molecular Weight195.33 g/mol
Exact Mass193.95
IUPAC Name2-methoxypropanoic acid;zirconium
SMILESCOC(C)C(=O)O.[Zr]
InChIInChI=1S/C4H8O3.Zr/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);
InChIKeyLLPIAMJYQMRJII-UHFFFAOYSA-N
XLogP0.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175177225
ethyl 2-methoxypropanoate;2-methoxypropanoic acid
CID 161483069
2-[2-[2-(2-methoxypropanoyloxy)propanoyloxy]propanoyloxy]propanoic acid
CID 89492748
2-methylperoxypropanoic acid
CID 151920792
methyl 2-methoxypropanoate;hydrochloride
CID 174449160
(2S)-2-hydroxypropanoic acid;methyl hydrogen carbonate
CID 158096678
3-methoxybutan-2-one
CID 59816302
dimethyl carbonate;ethane
CID 160632176
2-methylpropanoic acid;ruthenium
CID 88674751
(2R)-2-(methoxymethoxy)propanoic acid
CID 10844423
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
(2S)-2-acetyloxypropanoic acid
CID 6326324

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropanoic acid;zirconium?
The IUPAC name of 2-methoxypropanoic acid;zirconium (CID 174567743) is 2-methoxypropanoic acid;zirconium.
What is the SMILES notation for 2-methoxypropanoic acid;zirconium?
The canonical SMILES for 2-methoxypropanoic acid;zirconium is COC(C)C(=O)O.[Zr].
What is the InChIKey of 2-methoxypropanoic acid;zirconium?
The InChIKey is LLPIAMJYQMRJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.Zr/c1-3(7-2)4(5)6;/h3H,1-2H3,(H,5,6);.
What are the key properties of 2-methoxypropanoic acid;zirconium?
2-methoxypropanoic acid;zirconium has a molecular weight of 195.33 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropanoic acid;zirconium is sourced from PubChem (CID 174567743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).