argon;methyl acetate

C3H6ArO2 — CID 169424774

IUPACargon;methyl acetate
SMILESCOC(C)=O.[Ar]
InChIInChI=1S/C3H6O2.Ar/c1-3(4)5-2;/h1-2H3;
InChIKeyDKOGWSHMCCANKP-UHFFFAOYSA-N
MW114.03 g/mol
LogP0.18
Rot. Bonds

About argon;methyl acetate

argon;methyl acetate (PubChem CID 169424774) has the molecular formula C3H6ArO2 and a molecular weight of 114.03 g/mol. Its IUPAC name is argon;methyl acetate.

Molecular Properties

Compound Nameargon;methyl acetate
PubChem CID169424774
Molecular FormulaC3H6ArO2
Molecular Weight114.03 g/mol
Exact Mass114.00
IUPAC Nameargon;methyl acetate
SMILESCOC(C)=O.[Ar]
InChIInChI=1S/C3H6O2.Ar/c1-3(4)5-2;/h1-2H3;
InChIKeyDKOGWSHMCCANKP-UHFFFAOYSA-N
XLogP0.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.03
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of argon;methyl acetate?
The IUPAC name of argon;methyl acetate (CID 169424774) is argon;methyl acetate.
What is the SMILES notation for argon;methyl acetate?
The canonical SMILES for argon;methyl acetate is COC(C)=O.[Ar].
What is the InChIKey of argon;methyl acetate?
The InChIKey is DKOGWSHMCCANKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.Ar/c1-3(4)5-2;/h1-2H3;.
What are the key properties of argon;methyl acetate?
argon;methyl acetate has a molecular weight of 114.03 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;methyl acetate is sourced from PubChem (CID 169424774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).