barium(2+);4H-chromene;oxygen(2-)

C9H8BaO2 — CID 87914530

IUPACbarium(2+);4H-chromene;oxygen(2-)
SMILESC1=COc2ccccc2C1.[Ba+2].[O-2]
InChIInChI=1S/C9H8O.Ba.O/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-4,6-7H,5H2;;/q;+2;-2
InChIKeyFDSSEDBYNPBYDG-UHFFFAOYSA-N
MW285.49 g/mol
LogP1.64
Rot. Bonds

About barium(2+);4H-chromene;oxygen(2-)

barium(2+);4H-chromene;oxygen(2-) (PubChem CID 87914530) has the molecular formula C9H8BaO2 and a molecular weight of 285.49 g/mol. Its IUPAC name is barium(2+);4H-chromene;oxygen(2-).

Molecular Properties

Compound Namebarium(2+);4H-chromene;oxygen(2-)
PubChem CID87914530
Molecular FormulaC9H8BaO2
Molecular Weight285.49 g/mol
Exact Mass285.96
IUPAC Namebarium(2+);4H-chromene;oxygen(2-)
SMILESC1=COc2ccccc2C1.[Ba+2].[O-2]
InChIInChI=1S/C9H8O.Ba.O/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-4,6-7H,5H2;;/q;+2;-2
InChIKeyFDSSEDBYNPBYDG-UHFFFAOYSA-N
XLogP1.64
TPSA37.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.49
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of barium(2+);4H-chromene;oxygen(2-)?
The IUPAC name of barium(2+);4H-chromene;oxygen(2-) (CID 87914530) is barium(2+);4H-chromene;oxygen(2-).
What is the SMILES notation for barium(2+);4H-chromene;oxygen(2-)?
The canonical SMILES for barium(2+);4H-chromene;oxygen(2-) is C1=COc2ccccc2C1.[Ba+2].[O-2].
What is the InChIKey of barium(2+);4H-chromene;oxygen(2-)?
The InChIKey is FDSSEDBYNPBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O.Ba.O/c1-2-6-9-8(4-1)5-3-7-10-9;;/h1-4,6-7H,5H2;;/q;+2;-2.
What are the key properties of barium(2+);4H-chromene;oxygen(2-)?
barium(2+);4H-chromene;oxygen(2-) has a molecular weight of 285.49 g/mol, XLogP of 1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);4H-chromene;oxygen(2-) is sourced from PubChem (CID 87914530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).