sodium;formaldehyde;2-hydroxybenzenesulfonate

C7H7NaO5S — CID 87657944

IUPACsodium;formaldehyde;2-hydroxybenzenesulfonate
SMILESC=O.O=S(=O)([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C6H6O4S.CH2O.Na/c7-5-3-1-2-4-6(5)11(8,9)10;1-2;/h1-4,7H,(H,8,9,10);1H2;/q;;+1/p-1
InChIKeyIDHPJXIDLJGOBU-UHFFFAOYSA-M
MW226.18 g/mol
LogP-2.88
Rot. Bonds1

About sodium;formaldehyde;2-hydroxybenzenesulfonate

sodium;formaldehyde;2-hydroxybenzenesulfonate (PubChem CID 87657944) has the molecular formula C7H7NaO5S and a molecular weight of 226.18 g/mol. Its IUPAC name is sodium;formaldehyde;2-hydroxybenzenesulfonate.

Molecular Properties

Compound Namesodium;formaldehyde;2-hydroxybenzenesulfonate
PubChem CID87657944
Molecular FormulaC7H7NaO5S
Molecular Weight226.18 g/mol
Exact Mass225.99
IUPAC Namesodium;formaldehyde;2-hydroxybenzenesulfonate
SMILESC=O.O=S(=O)([O-])c1ccccc1O.[Na+]
InChIInChI=1S/C6H6O4S.CH2O.Na/c7-5-3-1-2-4-6(5)11(8,9)10;1-2;/h1-4,7H,(H,8,9,10);1H2;/q;;+1/p-1
InChIKeyIDHPJXIDLJGOBU-UHFFFAOYSA-M
XLogP-2.88
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-2.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;formaldehyde;2-hydroxybenzenesulfonate?
The IUPAC name of sodium;formaldehyde;2-hydroxybenzenesulfonate (CID 87657944) is sodium;formaldehyde;2-hydroxybenzenesulfonate.
What is the SMILES notation for sodium;formaldehyde;2-hydroxybenzenesulfonate?
The canonical SMILES for sodium;formaldehyde;2-hydroxybenzenesulfonate is C=O.O=S(=O)([O-])c1ccccc1O.[Na+].
What is the InChIKey of sodium;formaldehyde;2-hydroxybenzenesulfonate?
The InChIKey is IDHPJXIDLJGOBU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H6O4S.CH2O.Na/c7-5-3-1-2-4-6(5)11(8,9)10;1-2;/h1-4,7H,(H,8,9,10);1H2;/q;;+1/p-1.
What are the key properties of sodium;formaldehyde;2-hydroxybenzenesulfonate?
sodium;formaldehyde;2-hydroxybenzenesulfonate has a molecular weight of 226.18 g/mol, XLogP of -2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;formaldehyde;2-hydroxybenzenesulfonate is sourced from PubChem (CID 87657944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).