bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid

C6H6O4S — CID 19033662

IUPACbicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid
SMILESO=S(=O)(O)O.c1cc2ccc1-2
InChIInChI=1S/C6H4.H2O4S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H2,1,2,3,4)
InChIKeyWMHJPCXCFNUYBQ-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.01
Rot. Bonds

About bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid

bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid (PubChem CID 19033662) has the molecular formula C6H6O4S and a molecular weight of 174.18 g/mol. Its IUPAC name is bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid.

Molecular Properties

Compound Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid
PubChem CID19033662
Molecular FormulaC6H6O4S
Molecular Weight174.18 g/mol
Exact Mass174.00
IUPAC Namebicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid
SMILESO=S(=O)(O)O.c1cc2ccc1-2
InChIInChI=1S/C6H4.H2O4S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H2,1,2,3,4)
InChIKeyWMHJPCXCFNUYBQ-UHFFFAOYSA-N
XLogP1.01
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid?
The IUPAC name of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid (CID 19033662) is bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid.
What is the SMILES notation for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid?
The canonical SMILES for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid is O=S(=O)(O)O.c1cc2ccc1-2.
What is the InChIKey of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid?
The InChIKey is WMHJPCXCFNUYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4.H2O4S/c1-2-6-4-3-5(1)6;1-5(2,3)4/h1-4H;(H2,1,2,3,4).
What are the key properties of bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid?
bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid has a molecular weight of 174.18 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.0]hexa-1,3,5-triene;sulfuric acid is sourced from PubChem (CID 19033662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).