2-(CYCLOHEXYLAMMONIO)PROPANE-1-SULFONATE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form

Structure

InChI Key ATURTZGYZKPCBN-UHFFFAOYSA-N
Smiles CC(CS(=O)(=O)O)NC1CCCCC1
InChI
InChI=1S/C9H19NO3S/c1-8(7-14(11,12)13)10-9-5-3-2-4-6-9/h8-10H,2-7H2,1H3,(H,11,12,13)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H19NO3S
Molecular Weight 221.11
AlogP 1.19
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 66.4
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 90727-27-8
NORMAN SUSDAT
PubChem 19790457
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