magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide

C7H7BrMgO3 — CID 15977216

IUPACmagnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide
SMILESCCOC(=O)c1c[c-]co1.[Br-].[Mg+2]
InChIInChI=1S/C7H7O3.BrH.Mg/c1-2-9-7(8)6-4-3-5-10-6;;/h4-5H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMOLUJBWTVZYRFU-UHFFFAOYSA-M
MW243.34 g/mol
LogP-2.12
Rot. Bonds2

About magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide

magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide (PubChem CID 15977216) has the molecular formula C7H7BrMgO3 and a molecular weight of 243.34 g/mol. Its IUPAC name is magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide.

Molecular Properties

Compound Namemagnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide
PubChem CID15977216
Molecular FormulaC7H7BrMgO3
Molecular Weight243.34 g/mol
Exact Mass241.94
IUPAC Namemagnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide
SMILESCCOC(=O)c1c[c-]co1.[Br-].[Mg+2]
InChIInChI=1S/C7H7O3.BrH.Mg/c1-2-9-7(8)6-4-3-5-10-6;;/h4-5H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyMOLUJBWTVZYRFU-UHFFFAOYSA-M
XLogP-2.12
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 5-2.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide?
The IUPAC name of magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide (CID 15977216) is magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide.
What is the SMILES notation for magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide?
The canonical SMILES for magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide is CCOC(=O)c1c[c-]co1.[Br-].[Mg+2].
What is the InChIKey of magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide?
The InChIKey is MOLUJBWTVZYRFU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7O3.BrH.Mg/c1-2-9-7(8)6-4-3-5-10-6;;/h4-5H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide?
magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide has a molecular weight of 243.34 g/mol, XLogP of -2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;ethyl 3H-furan-3-ide-5-carboxylate;bromide is sourced from PubChem (CID 15977216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).