but-2-enedioate;manganese(2+)

C4H2MnO4 — CID 57354505

IUPACbut-2-enedioate;manganese(2+)
SMILESO=C([O-])C=CC(=O)[O-].[Mn+2]
InChIInChI=1S/C4H4O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2
InChIKeyPCDVXBKFEVKXMQ-UHFFFAOYSA-L
MW168.99 g/mol
LogP-2.96
Rot. Bonds2

About but-2-enedioate;manganese(2+)

but-2-enedioate;manganese(2+) (PubChem CID 57354505) has the molecular formula C4H2MnO4 and a molecular weight of 168.99 g/mol. Its IUPAC name is but-2-enedioate;manganese(2+).

Molecular Properties

Compound Namebut-2-enedioate;manganese(2+)
PubChem CID57354505
Molecular FormulaC4H2MnO4
Molecular Weight168.99 g/mol
Exact Mass168.93
IUPAC Namebut-2-enedioate;manganese(2+)
SMILESO=C([O-])C=CC(=O)[O-].[Mn+2]
InChIInChI=1S/C4H4O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2
InChIKeyPCDVXBKFEVKXMQ-UHFFFAOYSA-L
XLogP-2.96
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 5-2.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-but-2-enedioate
CID 5460307
disodium;(Z)-but-2-enedioate
CID 6364608
bis((Z)-but-2-enedioate);copper
CID 172736667
disodium;(2,3-13C2)but-2-enedioate
CID 118797082
beryllium (Z)-but-2-enedioate
CID 140577680
tris((E)-but-2-enedioate);bis(ytterbium(3+))
CID 158085240
dicalcium bis((Z)-but-2-enedioate)
CID 160931000
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595
tris((Z)-but-2-enedioate);neodymium
CID 139595444
calcium;but-2-enedioate;trihydrate
CID 74057853
disodium;(Z)-but-2-enedioate;dihydrate
CID 90473230

Frequently Asked Questions

What is the IUPAC name of but-2-enedioate;manganese(2+)?
The IUPAC name of but-2-enedioate;manganese(2+) (CID 57354505) is but-2-enedioate;manganese(2+).
What is the SMILES notation for but-2-enedioate;manganese(2+)?
The canonical SMILES for but-2-enedioate;manganese(2+) is O=C([O-])C=CC(=O)[O-].[Mn+2].
What is the InChIKey of but-2-enedioate;manganese(2+)?
The InChIKey is PCDVXBKFEVKXMQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H4O4.Mn/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/q;+2/p-2.
What are the key properties of but-2-enedioate;manganese(2+)?
but-2-enedioate;manganese(2+) has a molecular weight of 168.99 g/mol, XLogP of -2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioate;manganese(2+) is sourced from PubChem (CID 57354505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).