(3-Oxocyclopenten-1-yl) 4-methylbenzenesulfonate

HCID 86196686

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Basic information

Standard SMILES: Cc1ccc(S(=O)(=O)OC2=CC(=O)CC2)cc1
InChIKey: DUNMIVQLQNMUET-UHFFFAOYSA-N
Molecular formula: C12H12O4S
Average molar mass: 252.29 g/mol
Monoisotopic mass: 252.04563003

Names & identifiers

Preferred name: (3-Oxocyclopenten-1-yl) 4-methylbenzenesulfonate
IUPAC: (3-oxocyclopenten-1-yl) 4-methylbenzenesulfonate

Database identifiers

PubChem CID: 86196686

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 68.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 422

Related reactions

310 records

New reaction record

HRID 2001544 reaction equation

HRID 2001544As reactant39k HTE dataset from Pfizer

HRID 2001545 reaction equation

HRID 2001545As reactant39k HTE dataset from Pfizer

HRID 2001546 reaction equation

HRID 2001546As reactant39k HTE dataset from Pfizer

HRID 2001547 reaction equation

HRID 2001547As reactant39k HTE dataset from Pfizer

HRID 2001548 reaction equation

HRID 2001548As reactant39k HTE dataset from Pfizer

HRID 2001549 reaction equation

HRID 2001549As reactant39k HTE dataset from Pfizer

HRID 2001550 reaction equation

HRID 2001550As reactant39k HTE dataset from Pfizer

HRID 2001551 reaction equation

HRID 2001551As reactant39k HTE dataset from Pfizer

Linked notes

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