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Propanoic-13C3 Acid

CAT: 0572-TRC-P786364-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P786364-50MGSize:50 mg
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CAS Number
153474-35-2
Synonyms
[U-13C3]Propionate; Propionic acid-13C3
Hazard Statement
Flammable liquid and vapour; UN number: UN3463; Packing Group: II
Purity
>95% (GC)
Smiles
O[13C]([13CH2][13CH3])=O
Molecular Formula
13C3H6O2
Molecular Weight
77.06
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propionic acid-13C3
CAS Number153474-35-2
PubChem CID9877334
IUPAC Name(1,2,3-13C3)propanoic acid
Molecular FormulaC3H6O2
Molecular Weight77.057
XLogP0.3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity40
SMILES
[13CH3][13CH2][13C](=O)O
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1+1,2+1,3+1
InChIKey
XBDQKXXYIPTUBI-VMIGTVKRSA-N
Chemical Structure
2D Structure
2D structure of Propionic acid-13C3
CAS: 153474-35-2
CID: 9877334
Formula: C3H6O2
MW: 77.057
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight77.057
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass77.046843936
Monoisotopic Mass77.046843936
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity40.2
Isotope Atom Count3
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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