3,5-dimethyl benzoate ion

CAS:
Other names:
SMILES: O=C([O-])C1=CC(C)=CC(C)=C1

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
149.17 1 0 0.67 40.129999999999995 1 28 0.22 C9H9O2-

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
JN_351 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[3,5-dimethyl benzoate ion] 1.59 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[3,5-dimethyl benzoate ion] 0.95 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[3,5-dimethyl benzoate ion] 0.70 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[3,5-dimethyl benzoate ion] 0.90 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[3,5-dimethyl benzoate ion] 0.30 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[3,5-dimethyl benzoate ion] 0.90 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[3,5-dimethyl benzoate ion] 0.85 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[3,5-dimethyl benzoate ion] 0.85 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
Comment