disodium;2-hydroxybenzaldehyde;sulfite

C7H6Na2O5S — CID 21115552

IUPACdisodium;2-hydroxybenzaldehyde;sulfite
SMILESO=Cc1ccccc1O.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C7H6O2.2Na.H2O3S/c8-5-6-3-1-2-4-7(6)9;;;1-4(2)3/h1-5,9H;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyFKTVARQCHFFZEC-UHFFFAOYSA-L
MW248.17 g/mol
LogP-5.79
Rot. Bonds1

About disodium;2-hydroxybenzaldehyde;sulfite

disodium;2-hydroxybenzaldehyde;sulfite (PubChem CID 21115552) has the molecular formula C7H6Na2O5S and a molecular weight of 248.17 g/mol. Its IUPAC name is disodium;2-hydroxybenzaldehyde;sulfite.

Molecular Properties

Compound Namedisodium;2-hydroxybenzaldehyde;sulfite
PubChem CID21115552
Molecular FormulaC7H6Na2O5S
Molecular Weight248.17 g/mol
Exact Mass247.97
IUPAC Namedisodium;2-hydroxybenzaldehyde;sulfite
SMILESO=Cc1ccccc1O.O=S([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C7H6O2.2Na.H2O3S/c8-5-6-3-1-2-4-7(6)9;;;1-4(2)3/h1-5,9H;;;(H2,1,2,3)/q;2*+1;/p-2
InChIKeyFKTVARQCHFFZEC-UHFFFAOYSA-L
XLogP-5.79
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 5-5.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;hydride;2-hydroxybenzaldehyde
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CID 158421076
CID 158421076
2-hydroxybenzaldehyde;nickel(2+)
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2-hydroxybenzaldehyde;methanamine
CID 174602056
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
2-hydroxybenzaldehyde;(2,3,4,5,6-pentafluorophenyl) sulfite;zirconium
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aniline;2-hydroxybenzaldehyde
CID 159847329
copper;ethane-1,2-diamine;2-hydroxybenzaldehyde
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2-hydroxybenzaldehyde;2-methoxyaniline
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2-(2-hydroxyphenyl)benzaldehyde
CID 15593934

Frequently Asked Questions

What is the IUPAC name of disodium;2-hydroxybenzaldehyde;sulfite?
The IUPAC name of disodium;2-hydroxybenzaldehyde;sulfite (CID 21115552) is disodium;2-hydroxybenzaldehyde;sulfite.
What is the SMILES notation for disodium;2-hydroxybenzaldehyde;sulfite?
The canonical SMILES for disodium;2-hydroxybenzaldehyde;sulfite is O=Cc1ccccc1O.O=S([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;2-hydroxybenzaldehyde;sulfite?
The InChIKey is FKTVARQCHFFZEC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O2.2Na.H2O3S/c8-5-6-3-1-2-4-7(6)9;;;1-4(2)3/h1-5,9H;;;(H2,1,2,3)/q;2*+1;/p-2.
What are the key properties of disodium;2-hydroxybenzaldehyde;sulfite?
disodium;2-hydroxybenzaldehyde;sulfite has a molecular weight of 248.17 g/mol, XLogP of -5.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-hydroxybenzaldehyde;sulfite is sourced from PubChem (CID 21115552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).