acetic acid;cerium

C6H12CeO6 — CID 5102530

IUPACacetic acid;cerium
SMILESCC(=O)O.CC(=O)O.CC(=O)O.[Ce]
InChIInChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);
InChIKeyHRXZUGNDGULQSA-UHFFFAOYSA-N
MW320.27 g/mol
LogP0.27
Rot. Bonds

About acetic acid;cerium

acetic acid;cerium (PubChem CID 5102530) has the molecular formula C6H12CeO6 and a molecular weight of 320.27 g/mol. Its IUPAC name is acetic acid;cerium.

Molecular Properties

Compound Nameacetic acid;cerium
PubChem CID5102530
Molecular FormulaC6H12CeO6
Molecular Weight320.27 g/mol
Exact Mass319.97
IUPAC Nameacetic acid;cerium
SMILESCC(=O)O.CC(=O)O.CC(=O)O.[Ce]
InChIInChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);
InChIKeyHRXZUGNDGULQSA-UHFFFAOYSA-N
XLogP0.27
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

acetic acid
CID 158444727
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;cobalt
CID 59294242
acetic acid;nickel(2+)
CID 22169473
acetic acid;tris(yttrium)
CID 59994727
acetic acid;ruthenium
CID 175502908
acetic acid;germane
CID 174334920
acetic acid;vanadium
CID 173443465

Frequently Asked Questions

What is the IUPAC name of acetic acid;cerium?
The IUPAC name of acetic acid;cerium (CID 5102530) is acetic acid;cerium.
What is the SMILES notation for acetic acid;cerium?
The canonical SMILES for acetic acid;cerium is CC(=O)O.CC(=O)O.CC(=O)O.[Ce].
What is the InChIKey of acetic acid;cerium?
The InChIKey is HRXZUGNDGULQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H4O2.Ce/c3*1-2(3)4;/h3*1H3,(H,3,4);.
What are the key properties of acetic acid;cerium?
acetic acid;cerium has a molecular weight of 320.27 g/mol, XLogP of 0.27, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cerium is sourced from PubChem (CID 5102530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).