9-methylidenefluorene-2,7-disulfonic acid

C14H10O6S2 — CID 130291005

IUPAC9-methylidenefluorene-2,7-disulfonic acid
SMILESC=C1c2cc(S(=O)(=O)O)ccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C14H10O6S2/c1-8-13-6-9(21(15,16)17)2-4-11(13)12-5-3-10(7-14(8)12)22(18,19)20/h2-7H,1H2,(H,15,16,17)(H,18,19,20)
InChIKeyUPQFEPOOJVFKFD-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.22
Rot. Bonds2

About 9-methylidenefluorene-2,7-disulfonic acid

9-methylidenefluorene-2,7-disulfonic acid (PubChem CID 130291005) has the molecular formula C14H10O6S2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 9-methylidenefluorene-2,7-disulfonic acid.

Molecular Properties

Compound Name9-methylidenefluorene-2,7-disulfonic acid
PubChem CID130291005
Molecular FormulaC14H10O6S2
Molecular Weight338.36 g/mol
Exact Mass337.99
IUPAC Name9-methylidenefluorene-2,7-disulfonic acid
SMILESC=C1c2cc(S(=O)(=O)O)ccc2-c2ccc(S(=O)(=O)O)cc21
InChIInChI=1S/C14H10O6S2/c1-8-13-6-9(21(15,16)17)2-4-11(13)12-5-3-10(7-14(8)12)22(18,19)20/h2-7H,1H2,(H,15,16,17)(H,18,19,20)
InChIKeyUPQFEPOOJVFKFD-UHFFFAOYSA-N
XLogP2.22
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.22
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 9-methylidenefluorene-2,7-disulfonic acid?
The IUPAC name of 9-methylidenefluorene-2,7-disulfonic acid (CID 130291005) is 9-methylidenefluorene-2,7-disulfonic acid.
What is the SMILES notation for 9-methylidenefluorene-2,7-disulfonic acid?
The canonical SMILES for 9-methylidenefluorene-2,7-disulfonic acid is C=C1c2cc(S(=O)(=O)O)ccc2-c2ccc(S(=O)(=O)O)cc21.
What is the InChIKey of 9-methylidenefluorene-2,7-disulfonic acid?
The InChIKey is UPQFEPOOJVFKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6S2/c1-8-13-6-9(21(15,16)17)2-4-11(13)12-5-3-10(7-14(8)12)22(18,19)20/h2-7H,1H2,(H,15,16,17)(H,18,19,20).
What are the key properties of 9-methylidenefluorene-2,7-disulfonic acid?
9-methylidenefluorene-2,7-disulfonic acid has a molecular weight of 338.36 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylidenefluorene-2,7-disulfonic acid is sourced from PubChem (CID 130291005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).