benzylhydrazine;oxalic acid

C9H12N2O4 — CID 13000183

IUPACbenzylhydrazine;oxalic acid
SMILESNNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C7H10N2.C2H2O4/c8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,9H,6,8H2;(H,3,4)(H,5,6)
InChIKeyRCHUSXHCJLZTEY-UHFFFAOYSA-N
MW212.21 g/mol
LogP-0.19
Rot. Bonds2

About benzylhydrazine;oxalic acid

benzylhydrazine;oxalic acid (PubChem CID 13000183) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is benzylhydrazine;oxalic acid.

Molecular Properties

Compound Namebenzylhydrazine;oxalic acid
PubChem CID13000183
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Namebenzylhydrazine;oxalic acid
SMILESNNCc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C7H10N2.C2H2O4/c8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,9H,6,8H2;(H,3,4)(H,5,6)
InChIKeyRCHUSXHCJLZTEY-UHFFFAOYSA-N
XLogP-0.19
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-0.19
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 benzylhydrazine;oxalic acid?
The IUPAC name of benzylhydrazine;oxalic acid (CID 13000183) is benzylhydrazine;oxalic acid.
What is the SMILES notation for benzylhydrazine;oxalic acid?
The canonical SMILES for benzylhydrazine;oxalic acid is NNCc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of benzylhydrazine;oxalic acid?
The InChIKey is RCHUSXHCJLZTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C2H2O4/c8-9-6-7-4-2-1-3-5-7;3-1(4)2(5)6/h1-5,9H,6,8H2;(H,3,4)(H,5,6).
What are the key properties of benzylhydrazine;oxalic acid?
benzylhydrazine;oxalic acid has a molecular weight of 212.21 g/mol, XLogP of -0.19, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzylhydrazine;oxalic acid is sourced from PubChem (CID 13000183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).