sodium;hydride;phthalic acid;hydrate

C8H9NaO5 — CID 173204002

IUPACsodium;hydride;phthalic acid;hydrate
SMILESO.O=C(O)c1ccccc1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H6O4.Na.H2O.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;1H2;/q;+1;;-1
InChIKeyMBWZAZSYTXZUOK-UHFFFAOYSA-N
MW208.15 g/mol
LogP-2.63
Rot. Bonds2

About sodium;hydride;phthalic acid;hydrate

sodium;hydride;phthalic acid;hydrate (PubChem CID 173204002) has the molecular formula C8H9NaO5 and a molecular weight of 208.15 g/mol. Its IUPAC name is sodium;hydride;phthalic acid;hydrate.

Molecular Properties

Compound Namesodium;hydride;phthalic acid;hydrate
PubChem CID173204002
Molecular FormulaC8H9NaO5
Molecular Weight208.15 g/mol
Exact Mass208.03
IUPAC Namesodium;hydride;phthalic acid;hydrate
SMILESO.O=C(O)c1ccccc1C(=O)O.[H-].[Na+]
InChIInChI=1S/C8H6O4.Na.H2O.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;1H2;/q;+1;;-1
InChIKeyMBWZAZSYTXZUOK-UHFFFAOYSA-N
XLogP-2.63
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 5-2.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phthalic acid;hydrate?
The IUPAC name of sodium;hydride;phthalic acid;hydrate (CID 173204002) is sodium;hydride;phthalic acid;hydrate.
What is the SMILES notation for sodium;hydride;phthalic acid;hydrate?
The canonical SMILES for sodium;hydride;phthalic acid;hydrate is O.O=C(O)c1ccccc1C(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;phthalic acid;hydrate?
The InChIKey is MBWZAZSYTXZUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.Na.H2O.H/c9-7(10)5-3-1-2-4-6(5)8(11)12;;;/h1-4H,(H,9,10)(H,11,12);;1H2;/q;+1;;-1.
What are the key properties of sodium;hydride;phthalic acid;hydrate?
sodium;hydride;phthalic acid;hydrate has a molecular weight of 208.15 g/mol, XLogP of -2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phthalic acid;hydrate is sourced from PubChem (CID 173204002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).