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2-Methoxyacetic Acid-d3

CAT: 0572-TRC-M260827-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-M260827-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
345910-00-1
Hazard Statement
Harmful if swallowed; UN number: UN3265; Packing Group: II
Smiles
[2H]C([2H])([2H])OCC(=O)O
Molecular Formula
C3 2H3 H3 O3
Molecular Weight
93.1
InChI
InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
Additionnal Information
IUPAC name: 2-(trideuteriomethoxy)acetic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-Methoxy-D3-acetic acid
CAS Number345910-00-1
PubChem CID58451454
IUPAC Name2-(trideuteriomethoxy)acetic acid
Molecular FormulaC3H6O3
Molecular Weight93.10
XLogP-0.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count6
Formal Charge0
Complexity50
SMILES
[2H]C([2H])([2H])OCC(=O)O
InChI
InChI=1S/C3H6O3/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)/i1D3
InChIKey
RMIODHQZRUFFFF-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-D3-acetic acid
CAS: 345910-00-1
CID: 58451454
Formula: C3H6O3
MW: 93.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight93.10
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass93.050524287
Monoisotopic Mass93.050524287
Topological Polar Surface Area46.5 Ų
Heavy Atom Count6
Formal Charge0
Complexity50
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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