Cyclohexyl p-toluenesulfonate

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Catalog Number
ACM953913
Product Name
Cyclohexyl p-toluenesulfonate
Structure
Structure
CAS
953-91-3
Category
Heterocyclic Organic Compound
IUPAC Name
cyclohexyl 4-methylbenzenesulfonate
Molecular Weight
254.35g/mol
Molecular Formula
C13H18O3S
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
MSDS
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COA
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Spec Sheet
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