acetic acid;barium(2+);hydride;hydrate

C2H8BaO3 — CID 173020398

IUPACacetic acid;barium(2+);hydride;hydrate
SMILESCC(=O)O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/C2H4O2.Ba.H2O.2H/c1-2(3)4;;;;/h1H3,(H,3,4);;1H2;;/q;+2;;2*-1
InChIKeyWKDNYLGPGHXQIZ-UHFFFAOYSA-N
MW217.41 g/mol
LogP-0.89
Rot. Bonds

About acetic acid;barium(2+);hydride;hydrate

acetic acid;barium(2+);hydride;hydrate (PubChem CID 173020398) has the molecular formula C2H8BaO3 and a molecular weight of 217.41 g/mol. Its IUPAC name is acetic acid;barium(2+);hydride;hydrate.

Molecular Properties

Compound Nameacetic acid;barium(2+);hydride;hydrate
PubChem CID173020398
Molecular FormulaC2H8BaO3
Molecular Weight217.41 g/mol
Exact Mass217.95
IUPAC Nameacetic acid;barium(2+);hydride;hydrate
SMILESCC(=O)O.O.[Ba+2].[H-].[H-]
InChIInChI=1S/C2H4O2.Ba.H2O.2H/c1-2(3)4;;;;/h1H3,(H,3,4);;1H2;;/q;+2;;2*-1
InChIKeyWKDNYLGPGHXQIZ-UHFFFAOYSA-N
XLogP-0.89
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.41
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze acetic acid;barium(2+);hydride;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;acetic acid;hydride;dihydrate
CID 173154307
dimagnesium;acetic acid;hydride;tetrahydrate
CID 174549678
acetic acid;decahydrate
CID 163997764
magnesium;sodium;acetic acid;hydride;trihydrate
CID 173259653
acetic acid;gadolinium;hexahydrate
CID 174991979
acetic acid;yttrium;pentahydrate
CID 172997379
acetic acid;manganese;tetrahydrate
CID 178069783
trisodium;acetic acid;hydride
CID 172996834
acetic acid;hydrate;hydrobromide
CID 88815533
acetic acid;chromium;tetrahydrate
CID 173392510
CID 173007307
CID 173007307
acetic acid;terbium;dihydrate
CID 133188352

Frequently Asked Questions

What is the IUPAC name of acetic acid;barium(2+);hydride;hydrate?
The IUPAC name of acetic acid;barium(2+);hydride;hydrate (CID 173020398) is acetic acid;barium(2+);hydride;hydrate.
What is the SMILES notation for acetic acid;barium(2+);hydride;hydrate?
The canonical SMILES for acetic acid;barium(2+);hydride;hydrate is CC(=O)O.O.[Ba+2].[H-].[H-].
What is the InChIKey of acetic acid;barium(2+);hydride;hydrate?
The InChIKey is WKDNYLGPGHXQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.Ba.H2O.2H/c1-2(3)4;;;;/h1H3,(H,3,4);;1H2;;/q;+2;;2*-1.
What are the key properties of acetic acid;barium(2+);hydride;hydrate?
acetic acid;barium(2+);hydride;hydrate has a molecular weight of 217.41 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;barium(2+);hydride;hydrate is sourced from PubChem (CID 173020398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).