sodium;hydride;naphthalene-1,8-dicarboxylic acid

C12H9NaO4 — CID 175149963

IUPACsodium;hydride;naphthalene-1,8-dicarboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)O)c12.[H-].[Na+]
InChIInChI=1S/C12H8O4.Na.H/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16;;/h1-6H,(H,13,14)(H,15,16);;/q;+1;-1
InChIKeyRGSWEHWFAJADBS-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.65
Rot. Bonds2

About sodium;hydride;naphthalene-1,8-dicarboxylic acid

sodium;hydride;naphthalene-1,8-dicarboxylic acid (PubChem CID 175149963) has the molecular formula C12H9NaO4 and a molecular weight of 240.19 g/mol. Its IUPAC name is sodium;hydride;naphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Namesodium;hydride;naphthalene-1,8-dicarboxylic acid
PubChem CID175149963
Molecular FormulaC12H9NaO4
Molecular Weight240.19 g/mol
Exact Mass240.04
IUPAC Namesodium;hydride;naphthalene-1,8-dicarboxylic acid
SMILESO=C(O)c1cccc2cccc(C(=O)O)c12.[H-].[Na+]
InChIInChI=1S/C12H8O4.Na.H/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16;;/h1-6H,(H,13,14)(H,15,16);;/q;+1;-1
InChIKeyRGSWEHWFAJADBS-UHFFFAOYSA-N
XLogP-0.65
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;naphthalene-1,8-dicarboxylic acid
CID 174823001
naphthalene-1,8-dicarboxylic acid;silver
CID 91865760
8-(pyrrolidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16773543
8-(methoxycarbamoyl)naphthalene-1-carboxylic acid
CID 64974107
8-(azepane-1-carbonyl)naphthalene-1-carboxylic acid
CID 16776667
2-hydroxynaphthalene-1,8-dicarboxylic acid
CID 19938987
coronene;phthalic acid
CID 174757958
naphthalene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160598160
8-acetamidonaphthalene-1-carboxylic acid
CID 163232881
naphthalene;phthalic acid
CID 158069637
sodium;hydride;phthalic acid;hydrate
CID 173204002
8-(dipropylcarbamoyl)naphthalene-1-carboxylic acid
CID 16774584

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;naphthalene-1,8-dicarboxylic acid?
The IUPAC name of sodium;hydride;naphthalene-1,8-dicarboxylic acid (CID 175149963) is sodium;hydride;naphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for sodium;hydride;naphthalene-1,8-dicarboxylic acid?
The canonical SMILES for sodium;hydride;naphthalene-1,8-dicarboxylic acid is O=C(O)c1cccc2cccc(C(=O)O)c12.[H-].[Na+].
What is the InChIKey of sodium;hydride;naphthalene-1,8-dicarboxylic acid?
The InChIKey is RGSWEHWFAJADBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8O4.Na.H/c13-11(14)8-5-1-3-7-4-2-6-9(10(7)8)12(15)16;;/h1-6H,(H,13,14)(H,15,16);;/q;+1;-1.
What are the key properties of sodium;hydride;naphthalene-1,8-dicarboxylic acid?
sodium;hydride;naphthalene-1,8-dicarboxylic acid has a molecular weight of 240.19 g/mol, XLogP of -0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;naphthalene-1,8-dicarboxylic acid is sourced from PubChem (CID 175149963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).