9H-fluoren-9-ylmethanedisulfonic acid

C14H12O6S2 — CID 91439756

IUPAC9H-fluoren-9-ylmethanedisulfonic acid
SMILESO=S(=O)(O)C(C1c2ccccc2-c2ccccc21)S(=O)(=O)O
InChIInChI=1S/C14H12O6S2/c15-21(16,17)14(22(18,19)20)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H,(H,15,16,17)(H,18,19,20)
InChIKeyMYGLZCBREKLLTO-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.90
Rot. Bonds3

About 9H-fluoren-9-ylmethanedisulfonic acid

9H-fluoren-9-ylmethanedisulfonic acid (PubChem CID 91439756) has the molecular formula C14H12O6S2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethanedisulfonic acid.

Molecular Properties

Compound Name9H-fluoren-9-ylmethanedisulfonic acid
PubChem CID91439756
Molecular FormulaC14H12O6S2
Molecular Weight340.38 g/mol
Exact Mass340.01
IUPAC Name9H-fluoren-9-ylmethanedisulfonic acid
SMILESO=S(=O)(O)C(C1c2ccccc2-c2ccccc21)S(=O)(=O)O
InChIInChI=1S/C14H12O6S2/c15-21(16,17)14(22(18,19)20)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H,(H,15,16,17)(H,18,19,20)
InChIKeyMYGLZCBREKLLTO-UHFFFAOYSA-N
XLogP1.90
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 9H-fluoren-9-ylmethanedisulfonic acid?
The IUPAC name of 9H-fluoren-9-ylmethanedisulfonic acid (CID 91439756) is 9H-fluoren-9-ylmethanedisulfonic acid.
What is the SMILES notation for 9H-fluoren-9-ylmethanedisulfonic acid?
The canonical SMILES for 9H-fluoren-9-ylmethanedisulfonic acid is O=S(=O)(O)C(C1c2ccccc2-c2ccccc21)S(=O)(=O)O.
What is the InChIKey of 9H-fluoren-9-ylmethanedisulfonic acid?
The InChIKey is MYGLZCBREKLLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O6S2/c15-21(16,17)14(22(18,19)20)13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H,(H,15,16,17)(H,18,19,20).
What are the key properties of 9H-fluoren-9-ylmethanedisulfonic acid?
9H-fluoren-9-ylmethanedisulfonic acid has a molecular weight of 340.38 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethanedisulfonic acid is sourced from PubChem (CID 91439756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).