sodium 2-(2-hydroxybenzoyl)oxybenzoate

C14H9NaO5 — CID 23662396

IUPACsodium 2-(2-hydroxybenzoyl)oxybenzoate
SMILESO=C(Oc1ccccc1C(=O)[O-])c1ccccc1O.[Na+]
InChIInChI=1S/C14H10O5.Na/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17;/h1-8,15H,(H,16,17);/q;+1/p-1
InChIKeyJOCPDKGMOXSKRO-UHFFFAOYSA-M
MW280.21 g/mol
LogP-2.02
Rot. Bonds3

About sodium 2-(2-hydroxybenzoyl)oxybenzoate

sodium 2-(2-hydroxybenzoyl)oxybenzoate (PubChem CID 23662396) has the molecular formula C14H9NaO5 and a molecular weight of 280.21 g/mol. Its IUPAC name is sodium 2-(2-hydroxybenzoyl)oxybenzoate.

Molecular Properties

Compound Namesodium 2-(2-hydroxybenzoyl)oxybenzoate
PubChem CID23662396
Molecular FormulaC14H9NaO5
Molecular Weight280.21 g/mol
Exact Mass280.03
IUPAC Namesodium 2-(2-hydroxybenzoyl)oxybenzoate
SMILESO=C(Oc1ccccc1C(=O)[O-])c1ccccc1O.[Na+]
InChIInChI=1S/C14H10O5.Na/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17;/h1-8,15H,(H,16,17);/q;+1/p-1
InChIKeyJOCPDKGMOXSKRO-UHFFFAOYSA-M
XLogP-2.02
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 5-2.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

sodium;2-acetyloxybenzoate;carbonic acid
CID 66790092
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
[2-(2-hydroxyethoxycarbonyl)phenyl] 2-hydroxybenzoate
CID 59101861
sodium 2-iodooxybenzoate
CID 23692012
zinc;bis(2-acetyloxybenzoate);dihydrate
CID 139063518
(2-propan-2-ylphenyl) 2-hydroxybenzoate
CID 22898697
2-propanoyloxybenzoate
CID 23200401
(2,4-dihydroxyphenyl) 2-hydroxybenzoate
CID 69048208
3-(2-hydroxybenzoyl)oxy-2-methylbenzoic acid
CID 129189954
N,N-diethylethanamine;(2-methoxycarbonylphenyl) 2-hydroxybenzoate
CID 69490317
[2-(2,4,4-trimethylpentan-2-yl)phenyl] 2-hydroxybenzoate
CID 18984257
(2-butoxycarbonylphenyl) 2-hydroxybenzoate
CID 59687397

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2-hydroxybenzoyl)oxybenzoate?
The IUPAC name of sodium 2-(2-hydroxybenzoyl)oxybenzoate (CID 23662396) is sodium 2-(2-hydroxybenzoyl)oxybenzoate.
What is the SMILES notation for sodium 2-(2-hydroxybenzoyl)oxybenzoate?
The canonical SMILES for sodium 2-(2-hydroxybenzoyl)oxybenzoate is O=C(Oc1ccccc1C(=O)[O-])c1ccccc1O.[Na+].
What is the InChIKey of sodium 2-(2-hydroxybenzoyl)oxybenzoate?
The InChIKey is JOCPDKGMOXSKRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10O5.Na/c15-11-7-3-1-5-9(11)14(18)19-12-8-4-2-6-10(12)13(16)17;/h1-8,15H,(H,16,17);/q;+1/p-1.
What are the key properties of sodium 2-(2-hydroxybenzoyl)oxybenzoate?
sodium 2-(2-hydroxybenzoyl)oxybenzoate has a molecular weight of 280.21 g/mol, XLogP of -2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2-hydroxybenzoyl)oxybenzoate is sourced from PubChem (CID 23662396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).