9-formylfluorene-9-sulfonic acid

C14H10O4S — CID 175393983

IUPAC9-formylfluorene-9-sulfonic acid
SMILESO=CC1(S(=O)(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O4S/c15-9-14(19(16,17)18)12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9H,(H,16,17,18)
InChIKeyURZXBGGGFJAIBM-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.00
Rot. Bonds2

About 9-formylfluorene-9-sulfonic acid

9-formylfluorene-9-sulfonic acid (PubChem CID 175393983) has the molecular formula C14H10O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is 9-formylfluorene-9-sulfonic acid.

Molecular Properties

Compound Name9-formylfluorene-9-sulfonic acid
PubChem CID175393983
Molecular FormulaC14H10O4S
Molecular Weight274.30 g/mol
Exact Mass274.03
IUPAC Name9-formylfluorene-9-sulfonic acid
SMILESO=CC1(S(=O)(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C14H10O4S/c15-9-14(19(16,17)18)12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9H,(H,16,17,18)
InChIKeyURZXBGGGFJAIBM-UHFFFAOYSA-N
XLogP2.00
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-formylfluorene-9-sulfonic acid?
The IUPAC name of 9-formylfluorene-9-sulfonic acid (CID 175393983) is 9-formylfluorene-9-sulfonic acid.
What is the SMILES notation for 9-formylfluorene-9-sulfonic acid?
The canonical SMILES for 9-formylfluorene-9-sulfonic acid is O=CC1(S(=O)(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-formylfluorene-9-sulfonic acid?
The InChIKey is URZXBGGGFJAIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4S/c15-9-14(19(16,17)18)12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-9H,(H,16,17,18).
What are the key properties of 9-formylfluorene-9-sulfonic acid?
9-formylfluorene-9-sulfonic acid has a molecular weight of 274.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-formylfluorene-9-sulfonic acid is sourced from PubChem (CID 175393983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).