magnesium;hydride;naphthalene-2,6-dicarboxylic acid

C12H10MgO4 — CID 173052863

IUPACmagnesium;hydride;naphthalene-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H8O4.Mg.2H/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;;/h1-6H,(H,13,14)(H,15,16);;;/q;+2;2*-1
InChIKeyPWLFJQFQBZJQPK-UHFFFAOYSA-N
MW242.51 g/mol
LogP2.08
Rot. Bonds2

About magnesium;hydride;naphthalene-2,6-dicarboxylic acid

magnesium;hydride;naphthalene-2,6-dicarboxylic acid (PubChem CID 173052863) has the molecular formula C12H10MgO4 and a molecular weight of 242.51 g/mol. Its IUPAC name is magnesium;hydride;naphthalene-2,6-dicarboxylic acid.

Molecular Properties

Compound Namemagnesium;hydride;naphthalene-2,6-dicarboxylic acid
PubChem CID173052863
Molecular FormulaC12H10MgO4
Molecular Weight242.51 g/mol
Exact Mass242.04
IUPAC Namemagnesium;hydride;naphthalene-2,6-dicarboxylic acid
SMILESO=C(O)c1ccc2cc(C(=O)O)ccc2c1.[H-].[H-].[Mg+2]
InChIInChI=1S/C12H8O4.Mg.2H/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;;/h1-6H,(H,13,14)(H,15,16);;;/q;+2;2*-1
InChIKeyPWLFJQFQBZJQPK-UHFFFAOYSA-N
XLogP2.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.51
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 67200510
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CID 66988682
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naphthalene-2,7-dicarboxylic acid;hydrobromide
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CID 175448774
hexacene-2-carboxylic acid
CID 87430666
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
formaldehyde;naphthalene-2-carboxylic acid
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CID 59891781

Frequently Asked Questions

What is the IUPAC name of magnesium;hydride;naphthalene-2,6-dicarboxylic acid?
The IUPAC name of magnesium;hydride;naphthalene-2,6-dicarboxylic acid (CID 173052863) is magnesium;hydride;naphthalene-2,6-dicarboxylic acid.
What is the SMILES notation for magnesium;hydride;naphthalene-2,6-dicarboxylic acid?
The canonical SMILES for magnesium;hydride;naphthalene-2,6-dicarboxylic acid is O=C(O)c1ccc2cc(C(=O)O)ccc2c1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;hydride;naphthalene-2,6-dicarboxylic acid?
The InChIKey is PWLFJQFQBZJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.Mg.2H/c13-11(14)9-3-1-7-5-10(12(15)16)4-2-8(7)6-9;;;/h1-6H,(H,13,14)(H,15,16);;;/q;+2;2*-1.
What are the key properties of magnesium;hydride;naphthalene-2,6-dicarboxylic acid?
magnesium;hydride;naphthalene-2,6-dicarboxylic acid has a molecular weight of 242.51 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;hydride;naphthalene-2,6-dicarboxylic acid is sourced from PubChem (CID 173052863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).