Sodium;4-hydroxybenzoic acid;hydroxide

C7H7NaO4 — CID 161288203

IUPACsodium;4-hydroxybenzoic acid;hydroxide
SMILESC1=CC(=CC=C1C(=O)O)O.[OH-].[Na+]
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—
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
SMILESC1=CC(=CC=C1C(=O)O)O.[OH-].[Na+]
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—
TPSA58.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Salicylic Acid
CID 338
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Protocatechuic Acid
CID 72
4-Hydroxybenzaldehyde
CID 126
Hydroxyphenylacetic acid
CID 127
Sodium Salicylate
CID 16760658
3-Hydroxybenzoic Acid
CID 7420
4'-Hydroxyacetophenone
CID 7469

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 C1=CC(=CC=C1C(=O)O)O.[OH-].[Na+].
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 not available, 1 rotatable bonds, 3 hydrogen bond donors, and 4 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).