magnesium;but-2-ynedioic acid;hydride

C4H4MgO4 — CID 173356014

IUPACmagnesium;but-2-ynedioic acid;hydride
SMILESO=C(O)C#CC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H2O4.Mg.2H/c5-3(6)1-2-4(7)8;;;/h(H,5,6)(H,7,8);;;/q;+2;2*-1
InChIKeyOCQQUGXGMLDERB-UHFFFAOYSA-N
MW140.38 g/mol
LogP-1.00
Rot. Bonds

About magnesium;but-2-ynedioic acid;hydride

magnesium;but-2-ynedioic acid;hydride (PubChem CID 173356014) has the molecular formula C4H4MgO4 and a molecular weight of 140.38 g/mol. Its IUPAC name is magnesium;but-2-ynedioic acid;hydride.

Molecular Properties

Compound Namemagnesium;but-2-ynedioic acid;hydride
PubChem CID173356014
Molecular FormulaC4H4MgO4
Molecular Weight140.38 g/mol
Exact Mass140.00
IUPAC Namemagnesium;but-2-ynedioic acid;hydride
SMILESO=C(O)C#CC(=O)O.[H-].[H-].[Mg+2]
InChIInChI=1S/C4H2O4.Mg.2H/c5-3(6)1-2-4(7)8;;;/h(H,5,6)(H,7,8);;;/q;+2;2*-1
InChIKeyOCQQUGXGMLDERB-UHFFFAOYSA-N
XLogP-1.00
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.38
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium but-2-ynedioic acid
CID 18763942
4-oxopent-2-ynoic acid
CID 57311770
magnesium;carbonic acid;hydride
CID 173064498
trimagnesium;carbonic acid;hydride
CID 173236021
3-chloroprop-2-ynoic acid
CID 20515258
magnesium;carbonic acid;hydride;trihydrate
CID 173024872
magnesium;potassium;carbonic acid;hydride
CID 173403726
dicalcium;dimagnesium;carbonic acid;hydride
CID 174770084
hexamagnesium;alumane;carbonic acid;hydride
CID 173485627
magnesium;alumane;carbonic acid;hydride
CID 172997096
dimagnesium;carbonic acid;hydride;tetrahydrate
CID 173193239
3-methoxyprop-2-ynoic acid
CID 54098412

Frequently Asked Questions

What is the IUPAC name of magnesium;but-2-ynedioic acid;hydride?
The IUPAC name of magnesium;but-2-ynedioic acid;hydride (CID 173356014) is magnesium;but-2-ynedioic acid;hydride.
What is the SMILES notation for magnesium;but-2-ynedioic acid;hydride?
The canonical SMILES for magnesium;but-2-ynedioic acid;hydride is O=C(O)C#CC(=O)O.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;but-2-ynedioic acid;hydride?
The InChIKey is OCQQUGXGMLDERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2O4.Mg.2H/c5-3(6)1-2-4(7)8;;;/h(H,5,6)(H,7,8);;;/q;+2;2*-1.
What are the key properties of magnesium;but-2-ynedioic acid;hydride?
magnesium;but-2-ynedioic acid;hydride has a molecular weight of 140.38 g/mol, XLogP of -1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;but-2-ynedioic acid;hydride is sourced from PubChem (CID 173356014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).