sodium 3-hydroxybenzoate

C7H5NaO3 — CID 23675765

IUPACsodium 3-hydroxybenzoate
SMILESO=C([O-])c1cccc(O)c1.[Na+]
InChIInChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKeyUZLYOWSQVRAOBL-UHFFFAOYSA-M
MW160.10 g/mol
LogP-3.24
Rot. Bonds1

About sodium 3-hydroxybenzoate

sodium 3-hydroxybenzoate (PubChem CID 23675765) has the molecular formula C7H5NaO3 and a molecular weight of 160.10 g/mol. Its IUPAC name is sodium 3-hydroxybenzoate.

Molecular Properties

Compound Namesodium 3-hydroxybenzoate
PubChem CID23675765
Molecular FormulaC7H5NaO3
Molecular Weight160.10 g/mol
Exact Mass160.01
IUPAC Namesodium 3-hydroxybenzoate
SMILESO=C([O-])c1cccc(O)c1.[Na+]
InChIInChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
InChIKeyUZLYOWSQVRAOBL-UHFFFAOYSA-M
XLogP-3.24
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-3.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Salicylic Acid
CID 338
Protocatechuic Acid
CID 72
2,5-Dihydroxybenzoic acid
CID 3469
(2-Hydroxyphenyl)acetic acid
CID 11970
2,3-Dihydroxybenzoic Acid
CID 19
Sodium Salicylate
CID 16760658
3-Hydroxybenzoic Acid
CID 7420
3-coumaric acid, (E)-
CID 637541
3'-Hydroxyphenylacetic acid
CID 12122
Salicylate
CID 54675850
3,5-Dihydroxybenzoic Acid
CID 7424

Frequently Asked Questions

What is the IUPAC name of sodium 3-hydroxybenzoate?
The IUPAC name of sodium 3-hydroxybenzoate (CID 23675765) is sodium 3-hydroxybenzoate.
What is the SMILES notation for sodium 3-hydroxybenzoate?
The canonical SMILES for sodium 3-hydroxybenzoate is O=C([O-])c1cccc(O)c1.[Na+].
What is the InChIKey of sodium 3-hydroxybenzoate?
The InChIKey is UZLYOWSQVRAOBL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1.
What are the key properties of sodium 3-hydroxybenzoate?
sodium 3-hydroxybenzoate has a molecular weight of 160.10 g/mol, XLogP of -3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-hydroxybenzoate is sourced from PubChem (CID 23675765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).