sodium;hydrogen carbonate;2-hydroxybenzoic acid

C8H7NaO6 — CID 70482826

IUPACsodium;hydrogen carbonate;2-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1O.O=C([O-])O.[Na+]
InChIInChI=1S/C7H6O3.CH2O3.Na/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4;/h1-4,8H,(H,9,10);(H2,2,3,4);/q;;+1/p-1
InChIKeyWNQHKPNLRFZTCX-UHFFFAOYSA-M
MW222.13 g/mol
LogP-3.02
Rot. Bonds1

About sodium;hydrogen carbonate;2-hydroxybenzoic acid

sodium;hydrogen carbonate;2-hydroxybenzoic acid (PubChem CID 70482826) has the molecular formula C8H7NaO6 and a molecular weight of 222.13 g/mol. Its IUPAC name is sodium;hydrogen carbonate;2-hydroxybenzoic acid.

Molecular Properties

Compound Namesodium;hydrogen carbonate;2-hydroxybenzoic acid
PubChem CID70482826
Molecular FormulaC8H7NaO6
Molecular Weight222.13 g/mol
Exact Mass222.01
IUPAC Namesodium;hydrogen carbonate;2-hydroxybenzoic acid
SMILESO=C(O)c1ccccc1O.O=C([O-])O.[Na+]
InChIInChI=1S/C7H6O3.CH2O3.Na/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4;/h1-4,8H,(H,9,10);(H2,2,3,4);/q;;+1/p-1
InChIKeyWNQHKPNLRFZTCX-UHFFFAOYSA-M
XLogP-3.02
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 5-3.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;2-hydroxybenzoic acid;acetate
CID 174935764
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
azanide;2-hydroxybenzoic acid;platinum(2+)
CID 59733827

Frequently Asked Questions

What is the IUPAC name of sodium;hydrogen carbonate;2-hydroxybenzoic acid?
The IUPAC name of sodium;hydrogen carbonate;2-hydroxybenzoic acid (CID 70482826) is sodium;hydrogen carbonate;2-hydroxybenzoic acid.
What is the SMILES notation for sodium;hydrogen carbonate;2-hydroxybenzoic acid?
The canonical SMILES for sodium;hydrogen carbonate;2-hydroxybenzoic acid is O=C(O)c1ccccc1O.O=C([O-])O.[Na+].
What is the InChIKey of sodium;hydrogen carbonate;2-hydroxybenzoic acid?
The InChIKey is WNQHKPNLRFZTCX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O3.CH2O3.Na/c8-6-4-2-1-3-5(6)7(9)10;2-1(3)4;/h1-4,8H,(H,9,10);(H2,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;hydrogen carbonate;2-hydroxybenzoic acid?
sodium;hydrogen carbonate;2-hydroxybenzoic acid has a molecular weight of 222.13 g/mol, XLogP of -3.02, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydrogen carbonate;2-hydroxybenzoic acid is sourced from PubChem (CID 70482826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).