azanium;sodium;terephthalate

C8H8NNaO4 — CID 18352242

IUPACazanium;sodium;terephthalate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[NH4+].[Na+]
InChIInChI=1S/C8H6O4.H3N.Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);1H3;/q;;+1/p-1
InChIKeyVJEOMIKUHAWURI-UHFFFAOYSA-M
MW205.15 g/mol
LogP-4.21
Rot. Bonds2

About azanium;sodium;terephthalate

azanium;sodium;terephthalate (PubChem CID 18352242) has the molecular formula C8H8NNaO4 and a molecular weight of 205.15 g/mol. Its IUPAC name is azanium;sodium;terephthalate.

Molecular Properties

Compound Nameazanium;sodium;terephthalate
PubChem CID18352242
Molecular FormulaC8H8NNaO4
Molecular Weight205.15 g/mol
Exact Mass205.04
IUPAC Nameazanium;sodium;terephthalate
SMILESO=C([O-])c1ccc(C(=O)[O-])cc1.[NH4+].[Na+]
InChIInChI=1S/C8H6O4.H3N.Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);1H3;/q;;+1/p-1
InChIKeyVJEOMIKUHAWURI-UHFFFAOYSA-M
XLogP-4.21
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 5-4.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 175257755
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dipotassium;terephthalate
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CID 14361651
disodium;4-(4-carboxylatobenzoyl)benzoate
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disodium;4-(4-carboxylatophenyl)benzoate;hydrate
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azanium 4-methylbenzoate
CID 67114247
azanium benzoate
CID 15830
triazanium;tribenzoate
CID 161450646
disodium;4-[2-(4-carboxylatophenyl)ethenyl]benzoate
CID 76562419
cesium 4-hydroxybenzoate
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ethane-1,2-diol;iron(2+);terephthalate
CID 174939039

Frequently Asked Questions

What is the IUPAC name of azanium;sodium;terephthalate?
The IUPAC name of azanium;sodium;terephthalate (CID 18352242) is azanium;sodium;terephthalate.
What is the SMILES notation for azanium;sodium;terephthalate?
The canonical SMILES for azanium;sodium;terephthalate is O=C([O-])c1ccc(C(=O)[O-])cc1.[NH4+].[Na+].
What is the InChIKey of azanium;sodium;terephthalate?
The InChIKey is VJEOMIKUHAWURI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.H3N.Na/c9-7(10)5-1-2-6(4-3-5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);1H3;/q;;+1/p-1.
What are the key properties of azanium;sodium;terephthalate?
azanium;sodium;terephthalate has a molecular weight of 205.15 g/mol, XLogP of -4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;sodium;terephthalate is sourced from PubChem (CID 18352242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).