Dispersing Agent NNO

C11H10NaO4S — CID 156594502

IUPAC—
SMILESC=O.O=S(=O)(O)c1ccc2ccccc2c1.[Na]
InChIInChI=1S/C10H8O3S.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-2;/h1-7H,(H,11,12,13);1H2;
InChIKeyIWQLXFICQJMUGN-UHFFFAOYSA-N
MW261.25 g/mol
LogP1.52
Rot. Bonds1

About Dispersing Agent NNO

Dispersing Agent NNO (PubChem CID 156594502) has the molecular formula C11H10NaO4S and a molecular weight of 261.25 g/mol.

Molecular Properties

Compound NameDispersing Agent NNO
PubChem CID156594502
Molecular FormulaC11H10NaO4S
Molecular Weight261.25 g/mol
Exact Mass261.02
IUPAC Name—
SMILESC=O.O=S(=O)(O)c1ccc2ccccc2c1.[Na]
InChIInChI=1S/C10H8O3S.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-2;/h1-7H,(H,11,12,13);1H2;
InChIKeyIWQLXFICQJMUGN-UHFFFAOYSA-N
XLogP1.52
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

naphthalene-2-sulfonic acid
CID 8420
naphthalene-2-sulfonic acid;zinc
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CID 87246277
CID 87246277
CID 88530425
CID 88530425
methanesulfonic acid;naphthalene-2-sulfonic acid
CID 87841078
tetracene-2-sulfonic acid
CID 21483873
sodium;anthracene-2-sulfonic acid;hydride
CID 173016087
naphthalene-2,3,6-trisulfonic acid
CID 42609669
6-hydroxynaphthalene-2-sulfonic acid;nickel
CID 175470147
6-sulfanylnaphthalene-2-sulfonic acid
CID 57069240
6,7-dihydroxyanthracene-2-sulfonic acid
CID 141399641
2-hydroxy-1,2-diphenylethanone;naphthalene-2-sulfonic acid
CID 86743112

Frequently Asked Questions

What is the IUPAC name of Dispersing Agent NNO?
The IUPAC name of Dispersing Agent NNO (CID 156594502) is not available.
What is the SMILES notation for Dispersing Agent NNO?
The canonical SMILES for Dispersing Agent NNO is C=O.O=S(=O)(O)c1ccc2ccccc2c1.[Na].
What is the InChIKey of Dispersing Agent NNO?
The InChIKey is IWQLXFICQJMUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3S.CH2O.Na/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;1-2;/h1-7H,(H,11,12,13);1H2;.
What are the key properties of Dispersing Agent NNO?
Dispersing Agent NNO has a molecular weight of 261.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Dispersing Agent NNO is sourced from PubChem (CID 156594502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).