CID 57352970

C9H15AlO6-3 — CID 57352970

IUPAC—
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Al]
InChIInChI=1S/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/p-3
InChIKeyFIQJVAGJQFZPDC-UHFFFAOYSA-K
MW246.19 g/mol
LogP-2.94
Rot. Bonds3

About CID 57352970

CID 57352970 (PubChem CID 57352970) has the molecular formula C9H15AlO6-3 and a molecular weight of 246.19 g/mol.

Molecular Properties

Compound NameCID 57352970
PubChem CID57352970
Molecular FormulaC9H15AlO6-3
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name—
SMILESCCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Al]
InChIInChI=1S/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/p-3
InChIKeyFIQJVAGJQFZPDC-UHFFFAOYSA-K
XLogP-2.94
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 5-2.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of CID 57352970?
The IUPAC name of CID 57352970 (CID 57352970) is not available.
What is the SMILES notation for CID 57352970?
The canonical SMILES for CID 57352970 is CCC(=O)[O-].CCC(=O)[O-].CCC(=O)[O-].[Al].
What is the InChIKey of CID 57352970?
The InChIKey is FIQJVAGJQFZPDC-UHFFFAOYSA-K. The full InChI is InChI=1S/3C3H6O2.Al/c3*1-2-3(4)5;/h3*2H2,1H3,(H,4,5);/p-3.
What are the key properties of CID 57352970?
CID 57352970 has a molecular weight of 246.19 g/mol, XLogP of -2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57352970 is sourced from PubChem (CID 57352970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).