acetic acid;manganese;tetrahydrate

C8H24Mn2O12 — CID 178069783

IUPACacetic acid;manganese;tetrahydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.O.O.O.[Mn].[Mn]
InChIInChI=1S/4C2H4O2.2Mn.4H2O/c4*1-2(3)4;;;;;;/h4*1H3,(H,3,4);;;4*1H2
InChIKeyPMNVXVDJRPRXHD-UHFFFAOYSA-N
MW422.14 g/mol
LogP-2.94
Rot. Bonds

About acetic acid;manganese;tetrahydrate

acetic acid;manganese;tetrahydrate (PubChem CID 178069783) has the molecular formula C8H24Mn2O12 and a molecular weight of 422.14 g/mol. Its IUPAC name is acetic acid;manganese;tetrahydrate.

Molecular Properties

Compound Nameacetic acid;manganese;tetrahydrate
PubChem CID178069783
Molecular FormulaC8H24Mn2O12
Molecular Weight422.14 g/mol
Exact Mass422.00
IUPAC Nameacetic acid;manganese;tetrahydrate
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.O.O.O.[Mn].[Mn]
InChIInChI=1S/4C2H4O2.2Mn.4H2O/c4*1-2(3)4;;;;;;/h4*1H3,(H,3,4);;;4*1H2
InChIKeyPMNVXVDJRPRXHD-UHFFFAOYSA-N
XLogP-2.94
TPSA275.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.14
LogP ≤ 5-2.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of acetic acid;manganese;tetrahydrate?
The IUPAC name of acetic acid;manganese;tetrahydrate (CID 178069783) is acetic acid;manganese;tetrahydrate.
What is the SMILES notation for acetic acid;manganese;tetrahydrate?
The canonical SMILES for acetic acid;manganese;tetrahydrate is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.O.O.O.[Mn].[Mn].
What is the InChIKey of acetic acid;manganese;tetrahydrate?
The InChIKey is PMNVXVDJRPRXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.2Mn.4H2O/c4*1-2(3)4;;;;;;/h4*1H3,(H,3,4);;;4*1H2.
What are the key properties of acetic acid;manganese;tetrahydrate?
acetic acid;manganese;tetrahydrate has a molecular weight of 422.14 g/mol, XLogP of -2.94, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;manganese;tetrahydrate is sourced from PubChem (CID 178069783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).