Sodium acetate-D3 99+ atom % D

C2H4NaO2 — CID 131873492

IUPAC—
SMILES[2H]C([2H])([2H])C(=O)O.[Na]
InChIInChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/i1D3;
InChIKeyBDKZHNJTLHOSDW-NIIDSAIPSA-N
MW86.06 g/mol
LogP-0.29
Rot. Bonds1

About Sodium acetate-D3 99+ atom % D

Sodium acetate-D3 99+ atom % D (PubChem CID 131873492) has the molecular formula C2H4NaO2 and a molecular weight of 86.06 g/mol.

Molecular Properties

Compound NameSodium acetate-D3 99+ atom % D
PubChem CID131873492
Molecular FormulaC2H4NaO2
Molecular Weight86.06 g/mol
Exact Mass86.03
IUPAC Name—
SMILES[2H]C([2H])([2H])C(=O)O.[Na]
InChIInChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/i1D3;
InChIKeyBDKZHNJTLHOSDW-NIIDSAIPSA-N
XLogP-0.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50086.06
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Sodium acetate-D3 99+ atom % D?
The IUPAC name of Sodium acetate-D3 99+ atom % D (CID 131873492) is not available.
What is the SMILES notation for Sodium acetate-D3 99+ atom % D?
The canonical SMILES for Sodium acetate-D3 99+ atom % D is [2H]C([2H])([2H])C(=O)O.[Na].
What is the InChIKey of Sodium acetate-D3 99+ atom % D?
The InChIKey is BDKZHNJTLHOSDW-NIIDSAIPSA-N. The full InChI is InChI=1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/i1D3;.
What are the key properties of Sodium acetate-D3 99+ atom % D?
Sodium acetate-D3 99+ atom % D has a molecular weight of 86.06 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Sodium acetate-D3 99+ atom % D is sourced from PubChem (CID 131873492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).