acetic acid;cobalt;manganese;terephthalic acid

C12H14CoMnO8 — CID 174955175

IUPACacetic acid;cobalt;manganese;terephthalic acid
SMILESCC(=O)O.CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.[Co].[Mn]
InChIInChI=1S/C8H6O4.2C2H4O2.Co.Mn/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2(3)4;;/h1-4H,(H,9,10)(H,11,12);2*1H3,(H,3,4);;
InChIKeyXIZLPERWPUFHBN-UHFFFAOYSA-N
MW400.11 g/mol
LogP1.26
Rot. Bonds2

About acetic acid;cobalt;manganese;terephthalic acid

acetic acid;cobalt;manganese;terephthalic acid (PubChem CID 174955175) has the molecular formula C12H14CoMnO8 and a molecular weight of 400.11 g/mol. Its IUPAC name is acetic acid;cobalt;manganese;terephthalic acid.

Molecular Properties

Compound Nameacetic acid;cobalt;manganese;terephthalic acid
PubChem CID174955175
Molecular FormulaC12H14CoMnO8
Molecular Weight400.11 g/mol
Exact Mass399.94
IUPAC Nameacetic acid;cobalt;manganese;terephthalic acid
SMILESCC(=O)O.CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.[Co].[Mn]
InChIInChI=1S/C8H6O4.2C2H4O2.Co.Mn/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2(3)4;;/h1-4H,(H,9,10)(H,11,12);2*1H3,(H,3,4);;
InChIKeyXIZLPERWPUFHBN-UHFFFAOYSA-N
XLogP1.26
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.11
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;cobalt;manganese;terephthalic acid?
The IUPAC name of acetic acid;cobalt;manganese;terephthalic acid (CID 174955175) is acetic acid;cobalt;manganese;terephthalic acid.
What is the SMILES notation for acetic acid;cobalt;manganese;terephthalic acid?
The canonical SMILES for acetic acid;cobalt;manganese;terephthalic acid is CC(=O)O.CC(=O)O.O=C(O)c1ccc(C(=O)O)cc1.[Co].[Mn].
What is the InChIKey of acetic acid;cobalt;manganese;terephthalic acid?
The InChIKey is XIZLPERWPUFHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.2C2H4O2.Co.Mn/c9-7(10)5-1-2-6(4-3-5)8(11)12;2*1-2(3)4;;/h1-4H,(H,9,10)(H,11,12);2*1H3,(H,3,4);;.
What are the key properties of acetic acid;cobalt;manganese;terephthalic acid?
acetic acid;cobalt;manganese;terephthalic acid has a molecular weight of 400.11 g/mol, XLogP of 1.26, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cobalt;manganese;terephthalic acid is sourced from PubChem (CID 174955175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).