Ammonium-d4 acetate, 98 atom % D

C2H7NO2 — CID 71310296

IUPAC—
SMILES[2H]N([2H])[2H].[2H]OC(C)=O
InChIInChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i/hD4
InChIKeyUSFZMSVCRYTOJT-JBISRTOLSA-N
MW81.11 g/mol
LogP0.25
Rot. Bonds

About Ammonium-d4 acetate, 98 atom % D

Ammonium-d4 acetate, 98 atom % D (PubChem CID 71310296) has the molecular formula C2H7NO2 and a molecular weight of 81.11 g/mol.

Molecular Properties

Compound NameAmmonium-d4 acetate, 98 atom % D
PubChem CID71310296
Molecular FormulaC2H7NO2
Molecular Weight81.11 g/mol
Exact Mass81.07
IUPAC Name—
SMILES[2H]N([2H])[2H].[2H]OC(C)=O
InChIInChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i/hD4
InChIKeyUSFZMSVCRYTOJT-JBISRTOLSA-N
XLogP0.25
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50081.11
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of Ammonium-d4 acetate, 98 atom % D?
The IUPAC name of Ammonium-d4 acetate, 98 atom % D (CID 71310296) is not available.
What is the SMILES notation for Ammonium-d4 acetate, 98 atom % D?
The canonical SMILES for Ammonium-d4 acetate, 98 atom % D is [2H]N([2H])[2H].[2H]OC(C)=O.
What is the InChIKey of Ammonium-d4 acetate, 98 atom % D?
The InChIKey is USFZMSVCRYTOJT-JBISRTOLSA-N. The full InChI is InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3/i/hD4.
What are the key properties of Ammonium-d4 acetate, 98 atom % D?
Ammonium-d4 acetate, 98 atom % D has a molecular weight of 81.11 g/mol, XLogP of 0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Ammonium-d4 acetate, 98 atom % D is sourced from PubChem (CID 71310296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).