sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid

C9H12NNaO5 — CID 173200114

IUPACsodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid
SMILESCCc1cc(O)ccc1C(=O)O.O=NO.[H-].[Na+]
InChIInChI=1S/C9H10O3.HNO2.Na.H/c1-2-6-5-7(10)3-4-8(6)9(11)12;2-1-3;;/h3-5,10H,2H2,1H3,(H,11,12);(H,2,3);;/q;;+1;-1
InChIKeySLZBJCJQUHHLOZ-UHFFFAOYSA-N
MW237.19 g/mol
LogP-1.09
Rot. Bonds2

About sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid

sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid (PubChem CID 173200114) has the molecular formula C9H12NNaO5 and a molecular weight of 237.19 g/mol. Its IUPAC name is sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid.

Molecular Properties

Compound Namesodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid
PubChem CID173200114
Molecular FormulaC9H12NNaO5
Molecular Weight237.19 g/mol
Exact Mass237.06
IUPAC Namesodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid
SMILESCCc1cc(O)ccc1C(=O)O.O=NO.[H-].[Na+]
InChIInChI=1S/C9H10O3.HNO2.Na.H/c1-2-6-5-7(10)3-4-8(6)9(11)12;2-1-3;;/h3-5,10H,2H2,1H3,(H,11,12);(H,2,3);;/q;;+1;-1
InChIKeySLZBJCJQUHHLOZ-UHFFFAOYSA-N
XLogP-1.09
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid?
The IUPAC name of sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid (CID 173200114) is sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid.
What is the SMILES notation for sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid?
The canonical SMILES for sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid is CCc1cc(O)ccc1C(=O)O.O=NO.[H-].[Na+].
What is the InChIKey of sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid?
The InChIKey is SLZBJCJQUHHLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.HNO2.Na.H/c1-2-6-5-7(10)3-4-8(6)9(11)12;2-1-3;;/h3-5,10H,2H2,1H3,(H,11,12);(H,2,3);;/q;;+1;-1.
What are the key properties of sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid?
sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid has a molecular weight of 237.19 g/mol, XLogP of -1.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-ethyl-4-hydroxybenzoic acid;hydride;nitrous acid is sourced from PubChem (CID 173200114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).