disodium;hydron;phthalate

C8H5Na2O4+ — CID 23089010

IUPACdisodium;hydron;phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[H+].[Na+].[Na+]
InChIInChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-1
InChIKeyHQWKKEIVHQXCPI-UHFFFAOYSA-M
MW211.10 g/mol
LogP-7.47
Rot. Bonds2

About disodium;hydron;phthalate

disodium;hydron;phthalate (PubChem CID 23089010) has the molecular formula C8H5Na2O4+ and a molecular weight of 211.10 g/mol. Its IUPAC name is disodium;hydron;phthalate.

Molecular Properties

Compound Namedisodium;hydron;phthalate
PubChem CID23089010
Molecular FormulaC8H5Na2O4+
Molecular Weight211.10 g/mol
Exact Mass211.00
IUPAC Namedisodium;hydron;phthalate
SMILESO=C([O-])c1ccccc1C(=O)[O-].[H+].[Na+].[Na+]
InChIInChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-1
InChIKeyHQWKKEIVHQXCPI-UHFFFAOYSA-M
XLogP-7.47
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 5-7.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of disodium;hydron;phthalate?
The IUPAC name of disodium;hydron;phthalate (CID 23089010) is disodium;hydron;phthalate.
What is the SMILES notation for disodium;hydron;phthalate?
The canonical SMILES for disodium;hydron;phthalate is O=C([O-])c1ccccc1C(=O)[O-].[H+].[Na+].[Na+].
What is the InChIKey of disodium;hydron;phthalate?
The InChIKey is HQWKKEIVHQXCPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.2Na/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;/q;2*+1/p-1.
What are the key properties of disodium;hydron;phthalate?
disodium;hydron;phthalate has a molecular weight of 211.10 g/mol, XLogP of -7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;hydron;phthalate is sourced from PubChem (CID 23089010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).