oxalic acid;phenylhydrazine

C8H10N2O4 — CID 53445796

IUPACoxalic acid;phenylhydrazine
SMILESNNc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C6H8N2.C2H2O4/c7-8-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,8H,7H2;(H,3,4)(H,5,6)
InChIKeyIGOMPZNJCCVZCP-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.13
Rot. Bonds1

About oxalic acid;phenylhydrazine

oxalic acid;phenylhydrazine (PubChem CID 53445796) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is oxalic acid;phenylhydrazine.

Molecular Properties

Compound Nameoxalic acid;phenylhydrazine
PubChem CID53445796
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameoxalic acid;phenylhydrazine
SMILESNNc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C6H8N2.C2H2O4/c7-8-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,8H,7H2;(H,3,4)(H,5,6)
InChIKeyIGOMPZNJCCVZCP-UHFFFAOYSA-N
XLogP0.13
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;phenylhydrazine?
The IUPAC name of oxalic acid;phenylhydrazine (CID 53445796) is oxalic acid;phenylhydrazine.
What is the SMILES notation for oxalic acid;phenylhydrazine?
The canonical SMILES for oxalic acid;phenylhydrazine is NNc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;phenylhydrazine?
The InChIKey is IGOMPZNJCCVZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.C2H2O4/c7-8-6-4-2-1-3-5-6;3-1(4)2(5)6/h1-5,8H,7H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;phenylhydrazine?
oxalic acid;phenylhydrazine has a molecular weight of 198.18 g/mol, XLogP of 0.13, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;phenylhydrazine is sourced from PubChem (CID 53445796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).