acetic acid;azide

C8H16N3O8- — CID 175826162

IUPACacetic acid;azide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[N-]=[N+]=[N-]
InChIInChI=1S/4C2H4O2.N3/c4*1-2(3)4;1-3-2/h4*1H3,(H,3,4);/q;;;;-1
InChIKeyBEYZBZDXABUEBQ-UHFFFAOYSA-N
MW282.23 g/mol
LogP1.23
Rot. Bonds

About acetic acid;azide

acetic acid;azide (PubChem CID 175826162) has the molecular formula C8H16N3O8- and a molecular weight of 282.23 g/mol. Its IUPAC name is acetic acid;azide.

Molecular Properties

Compound Nameacetic acid;azide
PubChem CID175826162
Molecular FormulaC8H16N3O8-
Molecular Weight282.23 g/mol
Exact Mass282.09
IUPAC Nameacetic acid;azide
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[N-]=[N+]=[N-]
InChIInChI=1S/4C2H4O2.N3/c4*1-2(3)4;1-3-2/h4*1H3,(H,3,4);/q;;;;-1
InChIKeyBEYZBZDXABUEBQ-UHFFFAOYSA-N
XLogP1.23
TPSA207.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

acetic acid
CID 158444727
CID 10274606
CID 10274606
acetic acid;stibane
CID 174267479
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;ethane
CID 173070051
acetic acid;cobalt
CID 54602348
acetic acid;tris(yttrium)
CID 59994727
acetic acid;nickel(2+)
CID 22169473
acetic acid;cobalt
CID 59294242
acetic acid;germane
CID 174334920

Frequently Asked Questions

What is the IUPAC name of acetic acid;azide?
The IUPAC name of acetic acid;azide (CID 175826162) is acetic acid;azide.
What is the SMILES notation for acetic acid;azide?
The canonical SMILES for acetic acid;azide is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[N-]=[N+]=[N-].
What is the InChIKey of acetic acid;azide?
The InChIKey is BEYZBZDXABUEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C2H4O2.N3/c4*1-2(3)4;1-3-2/h4*1H3,(H,3,4);/q;;;;-1.
What are the key properties of acetic acid;azide?
acetic acid;azide has a molecular weight of 282.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;azide is sourced from PubChem (CID 175826162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).