2H-chromene;copper;zirconium

C9H8Cu2OZr — CID 174745994

IUPAC2H-chromene;copper;zirconium
SMILESC1=Cc2ccccc2OC1.[Cu].[Cu].[Zr]
InChIInChI=1S/C9H8O.2Cu.Zr/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyBBSJLEPUUJGUEB-UHFFFAOYSA-N
MW350.48 g/mol
LogP2.08
Rot. Bonds

About 2H-chromene;copper;zirconium

2H-chromene;copper;zirconium (PubChem CID 174745994) has the molecular formula C9H8Cu2OZr and a molecular weight of 350.48 g/mol. Its IUPAC name is 2H-chromene;copper;zirconium.

Molecular Properties

Compound Name2H-chromene;copper;zirconium
PubChem CID174745994
Molecular FormulaC9H8Cu2OZr
Molecular Weight350.48 g/mol
Exact Mass347.82
IUPAC Name2H-chromene;copper;zirconium
SMILESC1=Cc2ccccc2OC1.[Cu].[Cu].[Zr]
InChIInChI=1S/C9H8O.2Cu.Zr/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;
InChIKeyBBSJLEPUUJGUEB-UHFFFAOYSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-chromene;copper;zirconium?
The IUPAC name of 2H-chromene;copper;zirconium (CID 174745994) is 2H-chromene;copper;zirconium.
What is the SMILES notation for 2H-chromene;copper;zirconium?
The canonical SMILES for 2H-chromene;copper;zirconium is C1=Cc2ccccc2OC1.[Cu].[Cu].[Zr].
What is the InChIKey of 2H-chromene;copper;zirconium?
The InChIKey is BBSJLEPUUJGUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.2Cu.Zr/c1-2-6-9-8(4-1)5-3-7-10-9;;;/h1-6H,7H2;;;.
What are the key properties of 2H-chromene;copper;zirconium?
2H-chromene;copper;zirconium has a molecular weight of 350.48 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-chromene;copper;zirconium is sourced from PubChem (CID 174745994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).