acetic acid;hydroxylamine;hydrate

C4H16N2O7 — CID 162278428

IUPACacetic acid;hydroxylamine;hydrate
SMILESCC(=O)O.CC(=O)O.NO.NO.O
InChIInChI=1S/2C2H4O2.2H3NO.H2O/c2*1-2(3)4;2*1-2;/h2*1H3,(H,3,4);2*2H,1H2;1H2
InChIKeyVUZRSWFRHFYGCW-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.97
Rot. Bonds

About acetic acid;hydroxylamine;hydrate

acetic acid;hydroxylamine;hydrate (PubChem CID 162278428) has the molecular formula C4H16N2O7 and a molecular weight of 204.18 g/mol. Its IUPAC name is acetic acid;hydroxylamine;hydrate.

Molecular Properties

Compound Nameacetic acid;hydroxylamine;hydrate
PubChem CID162278428
Molecular FormulaC4H16N2O7
Molecular Weight204.18 g/mol
Exact Mass204.10
IUPAC Nameacetic acid;hydroxylamine;hydrate
SMILESCC(=O)O.CC(=O)O.NO.NO.O
InChIInChI=1S/2C2H4O2.2H3NO.H2O/c2*1-2(3)4;2*1-2;/h2*1H3,(H,3,4);2*2H,1H2;1H2
InChIKeyVUZRSWFRHFYGCW-UHFFFAOYSA-N
XLogP-1.97
TPSA198.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 178069783
acetic acid;chromium;tetrahydrate
CID 173392510
acetic acid;hydrate;hydrobromide
CID 88815533
acetic acid;terbium;dihydrate
CID 133188352
CID 173007307
CID 173007307
acetic acid;zinc;trihydrate
CID 173017451
acetic acid;iron;hexahydrate
CID 171714614
acetic acid;copper;tetrahydrate
CID 174987163
acetic acid;copper;dihydrate
CID 172826856

Frequently Asked Questions

What is the IUPAC name of acetic acid;hydroxylamine;hydrate?
The IUPAC name of acetic acid;hydroxylamine;hydrate (CID 162278428) is acetic acid;hydroxylamine;hydrate.
What is the SMILES notation for acetic acid;hydroxylamine;hydrate?
The canonical SMILES for acetic acid;hydroxylamine;hydrate is CC(=O)O.CC(=O)O.NO.NO.O.
What is the InChIKey of acetic acid;hydroxylamine;hydrate?
The InChIKey is VUZRSWFRHFYGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H4O2.2H3NO.H2O/c2*1-2(3)4;2*1-2;/h2*1H3,(H,3,4);2*2H,1H2;1H2.
What are the key properties of acetic acid;hydroxylamine;hydrate?
acetic acid;hydroxylamine;hydrate has a molecular weight of 204.18 g/mol, XLogP of -1.97, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;hydroxylamine;hydrate is sourced from PubChem (CID 162278428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).