sulfuric acid;9H-xanthene

C13H12O5S — CID 69337657

IUPACsulfuric acid;9H-xanthene
SMILESO=S(=O)(O)O.c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O.H2O4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-5(2,3)4/h1-8H,9H2;(H2,1,2,3,4)
InChIKeyJVFQIXQDVGDWSF-UHFFFAOYSA-N
MW280.30 g/mol
LogP2.73
Rot. Bonds

About sulfuric acid;9H-xanthene

sulfuric acid;9H-xanthene (PubChem CID 69337657) has the molecular formula C13H12O5S and a molecular weight of 280.30 g/mol. Its IUPAC name is sulfuric acid;9H-xanthene.

Molecular Properties

Compound Namesulfuric acid;9H-xanthene
PubChem CID69337657
Molecular FormulaC13H12O5S
Molecular Weight280.30 g/mol
Exact Mass280.04
IUPAC Namesulfuric acid;9H-xanthene
SMILESO=S(=O)(O)O.c1ccc2c(c1)Cc1ccccc1O2
InChIInChI=1S/C13H10O.H2O4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-5(2,3)4/h1-8H,9H2;(H2,1,2,3,4)
InChIKeyJVFQIXQDVGDWSF-UHFFFAOYSA-N
XLogP2.73
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 sulfuric acid;9H-xanthene?
The IUPAC name of sulfuric acid;9H-xanthene (CID 69337657) is sulfuric acid;9H-xanthene.
What is the SMILES notation for sulfuric acid;9H-xanthene?
The canonical SMILES for sulfuric acid;9H-xanthene is O=S(=O)(O)O.c1ccc2c(c1)Cc1ccccc1O2.
What is the InChIKey of sulfuric acid;9H-xanthene?
The InChIKey is JVFQIXQDVGDWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.H2O4S/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12;1-5(2,3)4/h1-8H,9H2;(H2,1,2,3,4).
What are the key properties of sulfuric acid;9H-xanthene?
sulfuric acid;9H-xanthene has a molecular weight of 280.30 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;9H-xanthene is sourced from PubChem (CID 69337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).