furan-3-carbohydrazide

• ChemBase ID: 265944
• Molecular Formular: C5H6N2O2
• Molecular Mass: 126.11334
• Monoisotopic Mass: 126.04292744
• SMILES: c1(C(=O)NN)cocc1
• Canonical SMILES: NNC(=O)c1cocc1
• InChI: InChI=1S/C5H6N2O2/c6-7-5(8)4-1-2-9-3-4/h1-3H,6H2,(H,7,8)
• InChIKey: FDKYTUTUYYBJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-3-carbohydrazide
• IUPAC Traditional name: furan-3-carbohydrazide
• Synonyms: furan-3-carbohydrazide

Database IDs

• MDL Number: MFCD02179227
• PubChem SID: 164321854
• PubChem CID: 12292748

CALCULATED PROPERTIES

• Acid pKa: 13.475812
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.33300716
• LogD (pH = 7.4): -0.33235276
• Log P: -0.33234406
• Molar Refractivity: 32.1339 cm^3
• Polarizability: 11.538698 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): -0.559

Product Information

• Purity: 95%