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Propionic-d2 Acid

CAT: 0572-TRC-P786390-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-P786390-1GSize:1 g
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CAS Number
19136-91-5
Synonyms
Propanoic-2,2-d2 acid (9CI); Propionic-2,2-d2 acid (7CI, 8CI); α-Dideuteropropanolic acid; Propionic acid D2 (methylene-D2); Propionic acid 2,2-D2
Hazard Statement
Flammable liquid and vapour; UN number: UN3463; Packing Group: II
Smiles
[2H]C([2H])(C)C(=O)O
Molecular Formula
C3 D2 H4 O2
Molecular Weight
76.091
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2
Additionnal Information
IUPAC name: 2,2-dideuteriopropanoic acid
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Propanoic acid-2,2-d2

See also: Propionic Acid (annotation moved to); Carboxylic acids, C1-5 (annotation moved to); Fatty acids, C3-24 (annotation moved to) ... View More ...

CAS Number19136-91-5
PubChem CID12216724
IUPAC Name2,2-dideuteriopropanoic acid
Molecular FormulaC3H6O2
Molecular Weight76.09
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])(C)C(=O)O
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2
InChIKey
XBDQKXXYIPTUBI-CBTSVUPCSA-N
Chemical Structure
2D Structure
2D structure of Propanoic acid-2,2-d2
CAS: 19136-91-5
CID: 12216724
Formula: C3H6O2
MW: 76.09
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight76.09
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass76.049332922
Monoisotopic Mass76.049332922
Topological Polar Surface Area37.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity40.2
Isotope Atom Count2
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes