acetic acid;azane;zirconium

C8H19NO8Zr — CID 173280365

IUPACacetic acid;azane;zirconium
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N.[Zr]
InChIInChI=1S/4C2H4O2.H3N.Zr/c4*1-2(3)4;;/h4*1H3,(H,3,4);1H3;
InChIKeyKKGICEMADAAIET-UHFFFAOYSA-N
MW348.46 g/mol
LogP0.52
Rot. Bonds

About acetic acid;azane;zirconium

acetic acid;azane;zirconium (PubChem CID 173280365) has the molecular formula C8H19NO8Zr and a molecular weight of 348.46 g/mol. Its IUPAC name is acetic acid;azane;zirconium.

Molecular Properties

Compound Nameacetic acid;azane;zirconium
PubChem CID173280365
Molecular FormulaC8H19NO8Zr
Molecular Weight348.46 g/mol
Exact Mass347.02
IUPAC Nameacetic acid;azane;zirconium
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N.[Zr]
InChIInChI=1S/4C2H4O2.H3N.Zr/c4*1-2(3)4;;/h4*1H3,(H,3,4);1H3;
InChIKeyKKGICEMADAAIET-UHFFFAOYSA-N
XLogP0.52
TPSA184.20 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.46
LogP ≤ 50.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 175328207
CID 175328207
hexasodium;acetic acid;azane;hydride
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acetic acid;stibane
CID 174267479
acetic acid;methanol
CID 173388753
acetic acid;stibane
CID 173054099
acetic acid;ethane
CID 173226324
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CID 22169473

Frequently Asked Questions

What is the IUPAC name of acetic acid;azane;zirconium?
The IUPAC name of acetic acid;azane;zirconium (CID 173280365) is acetic acid;azane;zirconium.
What is the SMILES notation for acetic acid;azane;zirconium?
The canonical SMILES for acetic acid;azane;zirconium is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.N.[Zr].
What is the InChIKey of acetic acid;azane;zirconium?
The InChIKey is KKGICEMADAAIET-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.H3N.Zr/c4*1-2(3)4;;/h4*1H3,(H,3,4);1H3;.
What are the key properties of acetic acid;azane;zirconium?
acetic acid;azane;zirconium has a molecular weight of 348.46 g/mol, XLogP of 0.52, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azane;zirconium is sourced from PubChem (CID 173280365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).