sodium;2-hydroxybenzoic acid;acetate

C9H9NaO5 — CID 174935764

IUPACsodium;2-hydroxybenzoic acid;acetate
SMILESCC(=O)[O-].O=C(O)c1ccccc1O.[Na+]
InChIInChI=1S/C7H6O3.C2H4O2.Na/c8-6-4-2-1-3-5(6)7(9)10;1-2(3)4;/h1-4,8H,(H,9,10);1H3,(H,3,4);/q;;+1/p-1
InChIKeyNSHOJRPLRMIZCF-UHFFFAOYSA-M
MW220.16 g/mol
LogP-3.15
Rot. Bonds1

About sodium;2-hydroxybenzoic acid;acetate

sodium;2-hydroxybenzoic acid;acetate (PubChem CID 174935764) has the molecular formula C9H9NaO5 and a molecular weight of 220.16 g/mol. Its IUPAC name is sodium;2-hydroxybenzoic acid;acetate.

Molecular Properties

Compound Namesodium;2-hydroxybenzoic acid;acetate
PubChem CID174935764
Molecular FormulaC9H9NaO5
Molecular Weight220.16 g/mol
Exact Mass220.03
IUPAC Namesodium;2-hydroxybenzoic acid;acetate
SMILESCC(=O)[O-].O=C(O)c1ccccc1O.[Na+]
InChIInChI=1S/C7H6O3.C2H4O2.Na/c8-6-4-2-1-3-5(6)7(9)10;1-2(3)4;/h1-4,8H,(H,9,10);1H3,(H,3,4);/q;;+1/p-1
InChIKeyNSHOJRPLRMIZCF-UHFFFAOYSA-M
XLogP-3.15
TPSA97.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 5-3.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;2-hydroxybenzoic acid;acetate?
The IUPAC name of sodium;2-hydroxybenzoic acid;acetate (CID 174935764) is sodium;2-hydroxybenzoic acid;acetate.
What is the SMILES notation for sodium;2-hydroxybenzoic acid;acetate?
The canonical SMILES for sodium;2-hydroxybenzoic acid;acetate is CC(=O)[O-].O=C(O)c1ccccc1O.[Na+].
What is the InChIKey of sodium;2-hydroxybenzoic acid;acetate?
The InChIKey is NSHOJRPLRMIZCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.C2H4O2.Na/c8-6-4-2-1-3-5(6)7(9)10;1-2(3)4;/h1-4,8H,(H,9,10);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of sodium;2-hydroxybenzoic acid;acetate?
sodium;2-hydroxybenzoic acid;acetate has a molecular weight of 220.16 g/mol, XLogP of -3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-hydroxybenzoic acid;acetate is sourced from PubChem (CID 174935764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).