CID 175114374

C10H9AlMgO3S — CID 175114374

IUPAC—
SMILESO=S(=O)(O)c1ccc2ccccc2c1[Al].[H-].[H-].[Mg+2]
InChIInChI=1S/C10H7O3S.Al.Mg.2H/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;;;;/h1-6H,(H,11,12,13);;;;/q;;+2;2*-1
InChIKeyPPZSQPRTLTZWCL-UHFFFAOYSA-N
MW260.53 g/mol
LogP0.72
Rot. Bonds1

About CID 175114374

CID 175114374 (PubChem CID 175114374) has the molecular formula C10H9AlMgO3S and a molecular weight of 260.53 g/mol.

Molecular Properties

Compound NameCID 175114374
PubChem CID175114374
Molecular FormulaC10H9AlMgO3S
Molecular Weight260.53 g/mol
Exact Mass259.99
IUPAC Name—
SMILESO=S(=O)(O)c1ccc2ccccc2c1[Al].[H-].[H-].[Mg+2]
InChIInChI=1S/C10H7O3S.Al.Mg.2H/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;;;;/h1-6H,(H,11,12,13);;;;/q;;+2;2*-1
InChIKeyPPZSQPRTLTZWCL-UHFFFAOYSA-N
XLogP0.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.53
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175114374?
The IUPAC name of CID 175114374 (CID 175114374) is not available.
What is the SMILES notation for CID 175114374?
The canonical SMILES for CID 175114374 is O=S(=O)(O)c1ccc2ccccc2c1[Al].[H-].[H-].[Mg+2].
What is the InChIKey of CID 175114374?
The InChIKey is PPZSQPRTLTZWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7O3S.Al.Mg.2H/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;;;;/h1-6H,(H,11,12,13);;;;/q;;+2;2*-1.
What are the key properties of CID 175114374?
CID 175114374 has a molecular weight of 260.53 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175114374 is sourced from PubChem (CID 175114374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).