CID 87073039

C4H4MgO4 — CID 87073039

IUPAC—
SMILESO=C(O)/C=C\C(=O)O.[Mg]
InChIInChI=1S/C4H4O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;
InChIKeyQQJCMYZJZCDMCD-ODZAUARKSA-N
MW140.38 g/mol
LogP-0.67
Rot. Bonds2

About CID 87073039

CID 87073039 (PubChem CID 87073039) has the molecular formula C4H4MgO4 and a molecular weight of 140.38 g/mol.

Molecular Properties

Compound NameCID 87073039
PubChem CID87073039
Molecular FormulaC4H4MgO4
Molecular Weight140.38 g/mol
Exact Mass140.00
IUPAC Name—
SMILESO=C(O)/C=C\C(=O)O.[Mg]
InChIInChI=1S/C4H4O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;
InChIKeyQQJCMYZJZCDMCD-ODZAUARKSA-N
XLogP-0.67
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.38
LogP ≤ 5-0.67
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

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tris(but-2-enedioic acid);hydrate
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CID 76541248
azane;bis((E)-but-2-enedioic acid)
CID 87996706
(Z)-but-2-enedioic acid;gold
CID 174837134
(Z)-but-2-enedioic acid;neodymium
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(Z)-but-2-enedioic acid;silver
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Frequently Asked Questions

What is the IUPAC name of CID 87073039?
The IUPAC name of CID 87073039 (CID 87073039) is not available.
What is the SMILES notation for CID 87073039?
The canonical SMILES for CID 87073039 is O=C(O)/C=C\C(=O)O.[Mg].
What is the InChIKey of CID 87073039?
The InChIKey is QQJCMYZJZCDMCD-ODZAUARKSA-N. The full InChI is InChI=1S/C4H4O4.Mg/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1-;.
What are the key properties of CID 87073039?
CID 87073039 has a molecular weight of 140.38 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87073039 is sourced from PubChem (CID 87073039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).