sodium;4-hydroxybenzoic acid;nitrite

C7H6NNaO5 — CID 139461106

IUPACsodium;4-hydroxybenzoic acid;nitrite
SMILESO=C(O)c1ccc(O)cc1.O=N[O-].[Na+]
InChIInChI=1S/C7H6O3.HNO2.Na/c8-6-3-1-5(2-4-6)7(9)10;2-1-3;/h1-4,8H,(H,9,10);(H,2,3);/q;;+1/p-1
InChIKeyFFMUJJHKFJDIMQ-UHFFFAOYSA-M
MW207.12 g/mol
LogP-1.65
Rot. Bonds1

About sodium;4-hydroxybenzoic acid;nitrite

sodium;4-hydroxybenzoic acid;nitrite (PubChem CID 139461106) has the molecular formula C7H6NNaO5 and a molecular weight of 207.12 g/mol. Its IUPAC name is sodium;4-hydroxybenzoic acid;nitrite.

Molecular Properties

Compound Namesodium;4-hydroxybenzoic acid;nitrite
PubChem CID139461106
Molecular FormulaC7H6NNaO5
Molecular Weight207.12 g/mol
Exact Mass207.01
IUPAC Namesodium;4-hydroxybenzoic acid;nitrite
SMILESO=C(O)c1ccc(O)cc1.O=N[O-].[Na+]
InChIInChI=1S/C7H6O3.HNO2.Na/c8-6-3-1-5(2-4-6)7(9)10;2-1-3;/h1-4,8H,(H,9,10);(H,2,3);/q;;+1/p-1
InChIKeyFFMUJJHKFJDIMQ-UHFFFAOYSA-M
XLogP-1.65
TPSA110.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;4-hydroxybenzoic acid;nitrite?
The IUPAC name of sodium;4-hydroxybenzoic acid;nitrite (CID 139461106) is sodium;4-hydroxybenzoic acid;nitrite.
What is the SMILES notation for sodium;4-hydroxybenzoic acid;nitrite?
The canonical SMILES for sodium;4-hydroxybenzoic acid;nitrite is O=C(O)c1ccc(O)cc1.O=N[O-].[Na+].
What is the InChIKey of sodium;4-hydroxybenzoic acid;nitrite?
The InChIKey is FFMUJJHKFJDIMQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.HNO2.Na/c8-6-3-1-5(2-4-6)7(9)10;2-1-3;/h1-4,8H,(H,9,10);(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;4-hydroxybenzoic acid;nitrite?
sodium;4-hydroxybenzoic acid;nitrite has a molecular weight of 207.12 g/mol, XLogP of -1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-hydroxybenzoic acid;nitrite is sourced from PubChem (CID 139461106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).