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Choline acetate, 30% water

CAT: 1552-IL-0322-TG-5000Size: 5000 gDry Ice: NoHazardous: No
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CAT#:1552-IL-0322-TG-5000Size:5000 g
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CAS Number
14586-35-7
Product Name Alternative
IoLiLyt 0322, 5000 g
Purity
98%
Molecular Formula
C7H17NO3
Molecular Weight
163.21
IUPAC Name
Choline acetate, 30% water

Chemical Information

Cholin acetate
CAS Number14586-35-7
PubChem CID11643980
IUPAC Name2-hydroxyethyl(trimethyl)azanium acetate
Molecular FormulaC7H17NO3
Molecular Weight163.21
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity72
SMILES
CC(=O)[O-].C[N+](C)(C)CCO
InChI
InChI=1S/C5H14NO.C2H4O2/c1-6(2,3)4-5-7;1-2(3)4/h7H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKey
QLKGUVGAXDXFFW-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Cholin acetate
CAS: 14586-35-7
CID: 11643980
Formula: C7H17NO3
MW: 163.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight163.21
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass163.12084340
Monoisotopic Mass163.12084340
Topological Polar Surface Area60.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity72
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes