CID 173043361

C9H8AlNiOY — CID 173043361

IUPAC—
SMILESC1=Cc2ccccc2OC1.[Al].[Ni].[Y]
InChIInChI=1S/C9H8O.Al.Ni.Y/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyZMVXLWLIHVNBDV-UHFFFAOYSA-N
MW306.74 g/mol
LogP1.71
Rot. Bonds

About CID 173043361

CID 173043361 (PubChem CID 173043361) has the molecular formula C9H8AlNiOY and a molecular weight of 306.74 g/mol.

Molecular Properties

Compound NameCID 173043361
PubChem CID173043361
Molecular FormulaC9H8AlNiOY
Molecular Weight306.74 g/mol
Exact Mass305.88
IUPAC Name—
SMILESC1=Cc2ccccc2OC1.[Al].[Ni].[Y]
InChIInChI=1S/C9H8O.Al.Ni.Y/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyZMVXLWLIHVNBDV-UHFFFAOYSA-N
XLogP1.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.74
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 173043361?
The IUPAC name of CID 173043361 (CID 173043361) is not available.
What is the SMILES notation for CID 173043361?
The canonical SMILES for CID 173043361 is C1=Cc2ccccc2OC1.[Al].[Ni].[Y].
What is the InChIKey of CID 173043361?
The InChIKey is ZMVXLWLIHVNBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Al.Ni.Y/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;.
What are the key properties of CID 173043361?
CID 173043361 has a molecular weight of 306.74 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173043361 is sourced from PubChem (CID 173043361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).