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Acetic Acid, Glacial

CAT: 0063-90026623-2.5ltSize: 2.5 LDry Ice: NoHazardous: No
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CAS Number
64-19-7
Molecular Formula
CH3CO2H
Molecular Weight
60.05

Chemical Information

Acetic Acid

Acetic acid is a simple monocarboxylic acid containing two carbons. It has a role as a protic solvent, a food acidity regulator, an antimicrobial food preservative and a Daphnia magna metabolite. It is a conjugate acid of an acetate.

CAS Number64-19-7
PubChem CID176
IUPAC Nameacetic acid
Molecular FormulaC2H4O2
Molecular Weight60.05
XLogP-0.2
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count4
Formal Charge0
Complexity31
SMILES
CC(=O)O
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey
QTBSBXVTEAMEQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Acetic Acid
CAS: 64-19-7
CID: 176
Formula: C2H4O2
MW: 60.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight60.05
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass60.021129366
Monoisotopic Mass60.021129366
Topological Polar Surface Area37.3 Ų
Heavy Atom Count4
Formal Charge0
Complexity31
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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