barium(2+);manganese(2+);bis(oxygen(2-));hydrate

H2BaMnO3 — CID 172997152

IUPACbarium(2+);manganese(2+);bis(oxygen(2-));hydrate
SMILESO.[Ba+2].[Mn+2].[O-2].[O-2]
InChIInChI=1S/Ba.Mn.H2O.2O/h;;1H2;;/q2*+2;;2*-2
InChIKeyTWIAMFDLQBTYNC-UHFFFAOYSA-N
MW242.28 g/mol
LogP-1.45
Rot. Bonds

About barium(2+);manganese(2+);bis(oxygen(2-));hydrate

barium(2+);manganese(2+);bis(oxygen(2-));hydrate (PubChem CID 172997152) has the molecular formula H2BaMnO3 and a molecular weight of 242.28 g/mol. Its IUPAC name is barium(2+);manganese(2+);bis(oxygen(2-));hydrate.

Molecular Properties

Compound Namebarium(2+);manganese(2+);bis(oxygen(2-));hydrate
PubChem CID172997152
Molecular FormulaH2BaMnO3
Molecular Weight242.28 g/mol
Exact Mass242.84
IUPAC Namebarium(2+);manganese(2+);bis(oxygen(2-));hydrate
SMILESO.[Ba+2].[Mn+2].[O-2].[O-2]
InChIInChI=1S/Ba.Mn.H2O.2O/h;;1H2;;/q2*+2;;2*-2
InChIKeyTWIAMFDLQBTYNC-UHFFFAOYSA-N
XLogP-1.45
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of barium(2+);manganese(2+);bis(oxygen(2-));hydrate?
The IUPAC name of barium(2+);manganese(2+);bis(oxygen(2-));hydrate (CID 172997152) is barium(2+);manganese(2+);bis(oxygen(2-));hydrate.
What is the SMILES notation for barium(2+);manganese(2+);bis(oxygen(2-));hydrate?
The canonical SMILES for barium(2+);manganese(2+);bis(oxygen(2-));hydrate is O.[Ba+2].[Mn+2].[O-2].[O-2].
What is the InChIKey of barium(2+);manganese(2+);bis(oxygen(2-));hydrate?
The InChIKey is TWIAMFDLQBTYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.Mn.H2O.2O/h;;1H2;;/q2*+2;;2*-2.
What are the key properties of barium(2+);manganese(2+);bis(oxygen(2-));hydrate?
barium(2+);manganese(2+);bis(oxygen(2-));hydrate has a molecular weight of 242.28 g/mol, XLogP of -1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);manganese(2+);bis(oxygen(2-));hydrate is sourced from PubChem (CID 172997152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).