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Acetic Acid-2-13C

CAT: 0572-TRC-A167641-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A167641-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1563-80-0
Synonyms
[2-13C]Acetic Acid;
Hazard Statement
Flammable liquid and vapour; UN number: UN2789; Packing Group: II
Smiles
[13CH3]C(=O)O
Molecular Formula
C13CH4O2
Molecular Weight
61.04
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Acetic acid-2-13C
CAS Number1563-80-0
PubChem CID12220504
IUPAC Nameacetic acid
Molecular FormulaC2H4O2
Molecular Weight61.045
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
[13CH3]C(=O)O
InChI
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1+1
InChIKey
QTBSBXVTEAMEQO-OUBTZVSYSA-N
Chemical Structure
2D Structure
2D structure of Acetic acid-2-13C
CAS: 1563-80-0
CID: 12220504
Formula: C2H4O2
MW: 61.045
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight61.045
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass61.024484201
Monoisotopic Mass61.024484201
Topological Polar Surface Area37.3 Ų
Heavy Atom Count4
Formal Charge0
Complexity31
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes