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Propionic Acid-d3

CAT: 0572-TRC-P786362-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P786362-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
55577-88-3
Synonyms
Propanoic-3,3,3-d3 acid (9CI); Propionic-3,3,3-d3 acid (7CI); Propionic acid D3 (methyl D3); Propionic acid-d3; Propionic acid 3,3,3-D2
Hazard Statement
Flammable liquid and vapour; UN number: UN3463; Packing Group: II
Purity
>95% (GC)
Smiles
[2H]C([2H])([2H])CC(=O)O
Molecular Formula
C3 D3 H3 O2
Molecular Weight
77.097
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
Additionnal Information
IUPAC name: 3,3,3-trideuteriopropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Propanoic acid-3,3,3-d3
CAS Number55577-88-3
PubChem CID10510806
IUPAC Name3,3,3-trideuteriopropanoic acid
Molecular FormulaC3H6O2
Molecular Weight77.10
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
[2H]C([2H])([2H])CC(=O)O
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
InChIKey
XBDQKXXYIPTUBI-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of Propanoic acid-3,3,3-d3
CAS: 55577-88-3
CID: 10510806
Formula: C3H6O2
MW: 77.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight77.10
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass77.055609668
Monoisotopic Mass77.055609668
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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