(Z)-but-2-enedioic acid;manganese

C4H4MnO4 — CID 87121555

IUPAC(Z)-but-2-enedioic acid;manganese
SMILESO=C(O)/C=C\C(=O)O.[Mn]
InChIInChI=1S/C4H4O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;
InChIKeyZCVAFBCDVKKQRX-ODZAUARKSA-N
MW171.01 g/mol
LogP-0.29
Rot. Bonds2

About (Z)-but-2-enedioic acid;manganese

(Z)-but-2-enedioic acid;manganese (PubChem CID 87121555) has the molecular formula C4H4MnO4 and a molecular weight of 171.01 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;manganese.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;manganese
PubChem CID87121555
Molecular FormulaC4H4MnO4
Molecular Weight171.01 g/mol
Exact Mass170.95
IUPAC Name(Z)-but-2-enedioic acid;manganese
SMILESO=C(O)/C=C\C(=O)O.[Mn]
InChIInChI=1S/C4H4O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;
InChIKeyZCVAFBCDVKKQRX-ODZAUARKSA-N
XLogP-0.29
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.01
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;ethene;manganese
CID 54606396
CID 76552400
CID 76552400
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
(Z)-but-2-enedioic acid;copper(1+)
CID 139263227
(Z)-but-2-enedioic acid;hydrate
CID 86620054
tris(but-2-enedioic acid);hydrate
CID 173409563
azane;bis((E)-but-2-enedioic acid)
CID 87996706
but-2-enedioic acid;dihydrate
CID 76541248
(Z)-but-2-enedioic acid;gold
CID 174837134
(Z)-but-2-enedioic acid;neodymium
CID 87072249

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;manganese?
The IUPAC name of (Z)-but-2-enedioic acid;manganese (CID 87121555) is (Z)-but-2-enedioic acid;manganese.
What is the SMILES notation for (Z)-but-2-enedioic acid;manganese?
The canonical SMILES for (Z)-but-2-enedioic acid;manganese is O=C(O)/C=C\C(=O)O.[Mn].
What is the InChIKey of (Z)-but-2-enedioic acid;manganese?
The InChIKey is ZCVAFBCDVKKQRX-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;.
What are the key properties of (Z)-but-2-enedioic acid;manganese?
(Z)-but-2-enedioic acid;manganese has a molecular weight of 171.01 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;manganese is sourced from PubChem (CID 87121555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).