3-methyl benzoate ion

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

Properties

MW HBA HBD LogP TPSA Rot. Comp. Fsp3C Brutto formula
135.14 1 0 0.36 40.129999999999995 1 28 0.13 C8H7O2-

Availability

Suppliers Supplier IDs Storage Storage ID Quantity Class Added
JN_347 None Jan. 1, 2023

Bar codes

Plate barcode Sample barcode

PAINS

Identified PAINS
Not checked

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[3-methyl benzoate ion] 1.41 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[3-methyl benzoate ion] 1.60 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[b-Cyclodextrin](1).[3-methyl benzoate ion] 1.68 -0.22 7.0 25.0 capillary electrophoresis(DAD) Wolfgang Zimmermann 1998
[cyclomaltodecaose](1).[3-methyl benzoate ion] 0.70 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltododecaose](1).[3-methyl benzoate ion] 0.85 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltononaose](1).[3-methyl benzoate ion] 0.48 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltotridecaose](1).[3-methyl benzoate ion] 0.90 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[cyclomaltoundecaose](1).[3-methyl benzoate ion] 0.78 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
[g-Cyclodextrin](1).[3-methyl benzoate ion] 0.78 25.0 capillary electrophoresis Wolfgang Zimmermann 1998
Comment