Cholin salicylate

CAT: 0024-sc-227647Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-227647Size:100 mg

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CAS Number

2016-36-6

Chemical Information

Choline Salicylate

Choline salicylate is a hydroxybenzoic acid. It is functionally related to a salicylic acid.

CAS Number	2016-36-6
PubChem CID	54686350
IUPAC Name	2-carboxyphenolate;2-hydroxyethyl(trimethyl)azanium
Molecular Formula	C12H19NO4
Molecular Weight	241.28
Topological Polar Surface Area	80.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	17
Formal Charge	0
Complexity	179

SMILES

C[N+](C)(C)CCO.C1=CC=C(C(=C1)C(=O)O)[O-]

InChI

InChI=1S/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1

InChIKey

UDKCHVLMFQVBAA-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 2016-36-6

CID: 54686350

Formula: C12H19NO4

MW: 241.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	241.28
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	241.13140809
Monoisotopic Mass	241.13140809
Topological Polar Surface Area	80.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-239544A	Cholin acetate
sc-239544	Cholin acetate
sc-254966	Benzyl salicylate
sc-474120	Butyl Salicylate
sc-252784	Physostigmine salicylate
sc-473826	Isoamyl Salicylate (contains 2-Methylbutyl Salicylate)
sc-204802A	Methyl Salicylate
sc-492820	Potassium salicylate
sc-3520A	Sodium Salicylate
sc-252994	Menthyl salicylate

Catalog	Name
OR1025024-01	Cholin Acetate
MBS490220-01	Cholin IgG/IgM ELISA
M-5528-01	4-Methylumbelliferyl cholin phosphate
MBS340874-01	Salicylate
FI67035-01	Isopropyl salicylate
FN26205-01	Nicotine salicylate
HY-B0250A	Lamivudine (salicylate)
HY-Y1074-01	Ethyl salicylate
HY-W775009	Imidazole salicylate
HY-B1266-01	Physostigmine (salicylate)