Cyclohexyl p-toluenesulfonate

• CAS: 953-91-3
• Catalog Number: ACM953913
• Category: Other Products
• Molecular Weight: 254.35g/mol
• Molecular Formula: C13H18O3S
• IUPAC Name: cyclohexyl 4-methylbenzenesulfonate
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCC2
• InChI: InChI=1S/C13H18O3S/c1-11-7-9-13(10-8-11)17(14,15)16-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
• InChI Key: OHHPZPDQZMUTCA-UHFFFAOYSA-N
• Complexity: 317
• Covalently-Bonded Unit Count: 1
• EC Number: 213-468-8
• Exact Mass: 254.097666g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 17
• Monoisotopic Mass: 254.097666g/mol
• NSC Number: 127370;122484
• Rotatable Bond Count: 3
• XLogP3: 3.4