azane;oxalic acid;dihydrate

C2H12N2O6 — CID 173006602

IUPACazane;oxalic acid;dihydrate
SMILESN.N.O.O.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.2H3N.2H2O/c3-1(4)2(5)6;;;;/h(H,3,4)(H,5,6);2*1H3;2*1H2
InChIKeyJBFIKAWSLUUIRM-UHFFFAOYSA-N
MW160.13 g/mol
LogP-2.17
Rot. Bonds

About azane;oxalic acid;dihydrate

azane;oxalic acid;dihydrate (PubChem CID 173006602) has the molecular formula C2H12N2O6 and a molecular weight of 160.13 g/mol. Its IUPAC name is azane;oxalic acid;dihydrate.

Molecular Properties

Compound Nameazane;oxalic acid;dihydrate
PubChem CID173006602
Molecular FormulaC2H12N2O6
Molecular Weight160.13 g/mol
Exact Mass160.07
IUPAC Nameazane;oxalic acid;dihydrate
SMILESN.N.O.O.O=C(O)C(=O)O
InChIInChI=1S/C2H2O4.2H3N.2H2O/c3-1(4)2(5)6;;;;/h(H,3,4)(H,5,6);2*1H3;2*1H2
InChIKeyJBFIKAWSLUUIRM-UHFFFAOYSA-N
XLogP-2.17
TPSA207.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of azane;oxalic acid;dihydrate?
The IUPAC name of azane;oxalic acid;dihydrate (CID 173006602) is azane;oxalic acid;dihydrate.
What is the SMILES notation for azane;oxalic acid;dihydrate?
The canonical SMILES for azane;oxalic acid;dihydrate is N.N.O.O.O=C(O)C(=O)O.
What is the InChIKey of azane;oxalic acid;dihydrate?
The InChIKey is JBFIKAWSLUUIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O4.2H3N.2H2O/c3-1(4)2(5)6;;;;/h(H,3,4)(H,5,6);2*1H3;2*1H2.
What are the key properties of azane;oxalic acid;dihydrate?
azane;oxalic acid;dihydrate has a molecular weight of 160.13 g/mol, XLogP of -2.17, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;oxalic acid;dihydrate is sourced from PubChem (CID 173006602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).