3,6-dicarboxybenzene-1,2-diolate;manganese(2+)

C8H4MnO6 — CID 67068164

IUPAC3,6-dicarboxybenzene-1,2-diolate;manganese(2+)
SMILESO=C(O)c1ccc(C(=O)O)c([O-])c1[O-].[Mn+2]
InChIInChI=1S/C8H6O6.Mn/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;/h1-2,9-10H,(H,11,12)(H,13,14);/q;+2/p-2
InChIKeyLBUAKXDHUWFKLN-UHFFFAOYSA-L
MW251.05 g/mol
LogP-0.77
Rot. Bonds2

About 3,6-dicarboxybenzene-1,2-diolate;manganese(2+)

3,6-dicarboxybenzene-1,2-diolate;manganese(2+) (PubChem CID 67068164) has the molecular formula C8H4MnO6 and a molecular weight of 251.05 g/mol. Its IUPAC name is 3,6-dicarboxybenzene-1,2-diolate;manganese(2+).

Molecular Properties

Compound Name3,6-dicarboxybenzene-1,2-diolate;manganese(2+)
PubChem CID67068164
Molecular FormulaC8H4MnO6
Molecular Weight251.05 g/mol
Exact Mass250.94
IUPAC Name3,6-dicarboxybenzene-1,2-diolate;manganese(2+)
SMILESO=C(O)c1ccc(C(=O)O)c([O-])c1[O-].[Mn+2]
InChIInChI=1S/C8H6O6.Mn/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;/h1-2,9-10H,(H,11,12)(H,13,14);/q;+2/p-2
InChIKeyLBUAKXDHUWFKLN-UHFFFAOYSA-L
XLogP-0.77
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.05
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dipotassium;benzene-1,2,3,4-tetramine;3,6-dicarboxybenzene-1,2-diolate
CID 66739034
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CID 175992554
CID 175992554
zinc bis(2,3-ditert-butyl-6-carboxyphenolate)
CID 87515016
sodium 6-carboxy-2,3-dinitrophenolate
CID 131712682
2-amino-3-carboxy-6-methylphenolate
CID 54691710
aluminum tris(2-carboxy-6-formylphenolate)
CID 173060925
benzene-1,2,4,5-tetracarboxylic acid;lanthanum
CID 157172767
2,3-dimethylterephthalic acid
CID 158313107
benzene-1,2,3,4-tetracarboxylic acid;titanium
CID 162026487
2-carboxy-5-methylphenolate
CID 54675829
4-carboxynaphthalen-1-olate
CID 54707408

Frequently Asked Questions

What is the IUPAC name of 3,6-dicarboxybenzene-1,2-diolate;manganese(2+)?
The IUPAC name of 3,6-dicarboxybenzene-1,2-diolate;manganese(2+) (CID 67068164) is 3,6-dicarboxybenzene-1,2-diolate;manganese(2+).
What is the SMILES notation for 3,6-dicarboxybenzene-1,2-diolate;manganese(2+)?
The canonical SMILES for 3,6-dicarboxybenzene-1,2-diolate;manganese(2+) is O=C(O)c1ccc(C(=O)O)c([O-])c1[O-].[Mn+2].
What is the InChIKey of 3,6-dicarboxybenzene-1,2-diolate;manganese(2+)?
The InChIKey is LBUAKXDHUWFKLN-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O6.Mn/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14;/h1-2,9-10H,(H,11,12)(H,13,14);/q;+2/p-2.
What are the key properties of 3,6-dicarboxybenzene-1,2-diolate;manganese(2+)?
3,6-dicarboxybenzene-1,2-diolate;manganese(2+) has a molecular weight of 251.05 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dicarboxybenzene-1,2-diolate;manganese(2+) is sourced from PubChem (CID 67068164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).