sodium;4-hydroxybenzoic acid;hydroxide

C7H7NaO4 — CID 161288203

IUPACsodium;4-hydroxybenzoic acid;hydroxide
SMILESO=C(O)c1ccc(O)cc1.[Na+].[OH-]
InChIInChI=1S/C7H6O3.Na.H2O/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+1;/p-1
InChIKeyVFZPYWIVLPCWMW-UHFFFAOYSA-M
MW178.12 g/mol
LogP-2.08
Rot. Bonds1

About sodium;4-hydroxybenzoic acid;hydroxide

sodium;4-hydroxybenzoic acid;hydroxide (PubChem CID 161288203) has the molecular formula C7H7NaO4 and a molecular weight of 178.12 g/mol. Its IUPAC name is sodium;4-hydroxybenzoic acid;hydroxide.

Molecular Properties

Compound Namesodium;4-hydroxybenzoic acid;hydroxide
PubChem CID161288203
Molecular FormulaC7H7NaO4
Molecular Weight178.12 g/mol
Exact Mass178.02
IUPAC Namesodium;4-hydroxybenzoic acid;hydroxide
SMILESO=C(O)c1ccc(O)cc1.[Na+].[OH-]
InChIInChI=1S/C7H6O3.Na.H2O/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+1;/p-1
InChIKeyVFZPYWIVLPCWMW-UHFFFAOYSA-M
XLogP-2.08
TPSA87.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 5-2.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;4-hydroxybenzoic acid;hydroxide?
The IUPAC name of sodium;4-hydroxybenzoic acid;hydroxide (CID 161288203) is sodium;4-hydroxybenzoic acid;hydroxide.
What is the SMILES notation for sodium;4-hydroxybenzoic acid;hydroxide?
The canonical SMILES for sodium;4-hydroxybenzoic acid;hydroxide is O=C(O)c1ccc(O)cc1.[Na+].[OH-].
What is the InChIKey of sodium;4-hydroxybenzoic acid;hydroxide?
The InChIKey is VFZPYWIVLPCWMW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.Na.H2O/c8-6-3-1-5(2-4-6)7(9)10;;/h1-4,8H,(H,9,10);;1H2/q;+1;/p-1.
What are the key properties of sodium;4-hydroxybenzoic acid;hydroxide?
sodium;4-hydroxybenzoic acid;hydroxide has a molecular weight of 178.12 g/mol, XLogP of -2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-hydroxybenzoic acid;hydroxide is sourced from PubChem (CID 161288203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).