carbanide;propanoic acid;zirconium

C10H21O6Zr- — CID 88665928

IUPACcarbanide;propanoic acid;zirconium
SMILESCCC(=O)O.CCC(=O)O.CCC(=O)O.[CH3-].[Zr]
InChIInChI=1S/3C3H6O2.CH3.Zr/c3*1-2-3(4)5;;/h3*2H2,1H3,(H,4,5);1H3;/q;;;-1;
InChIKeyJGKWOIXSJYRGCQ-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.89
Rot. Bonds3

About carbanide;propanoic acid;zirconium

carbanide;propanoic acid;zirconium (PubChem CID 88665928) has the molecular formula C10H21O6Zr- and a molecular weight of 328.50 g/mol. Its IUPAC name is carbanide;propanoic acid;zirconium.

Molecular Properties

Compound Namecarbanide;propanoic acid;zirconium
PubChem CID88665928
Molecular FormulaC10H21O6Zr-
Molecular Weight328.50 g/mol
Exact Mass327.04
IUPAC Namecarbanide;propanoic acid;zirconium
SMILESCCC(=O)O.CCC(=O)O.CCC(=O)O.[CH3-].[Zr]
InChIInChI=1S/3C3H6O2.CH3.Zr/c3*1-2-3(4)5;;/h3*2H2,1H3,(H,4,5);1H3;/q;;;-1;
InChIKeyJGKWOIXSJYRGCQ-UHFFFAOYSA-N
XLogP1.89
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbanide;propanoic acid;zirconium?
The IUPAC name of carbanide;propanoic acid;zirconium (CID 88665928) is carbanide;propanoic acid;zirconium.
What is the SMILES notation for carbanide;propanoic acid;zirconium?
The canonical SMILES for carbanide;propanoic acid;zirconium is CCC(=O)O.CCC(=O)O.CCC(=O)O.[CH3-].[Zr].
What is the InChIKey of carbanide;propanoic acid;zirconium?
The InChIKey is JGKWOIXSJYRGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6O2.CH3.Zr/c3*1-2-3(4)5;;/h3*2H2,1H3,(H,4,5);1H3;/q;;;-1;.
What are the key properties of carbanide;propanoic acid;zirconium?
carbanide;propanoic acid;zirconium has a molecular weight of 328.50 g/mol, XLogP of 1.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;propanoic acid;zirconium is sourced from PubChem (CID 88665928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).