furan-2,5-dicarbohydrazide

• ChemBase ID: 37008
• Molecular Formular: C6H8N4O3
• Molecular Mass: 184.15272
• Monoisotopic Mass: 184.05964014
• SMILES: o1c(ccc1C(=O)NN)C(=O)NN
• Canonical SMILES: NNC(=O)c1ccc(o1)C(=O)NN
• InChI: InChI=1S/C6H8N4O3/c7-9-5(11)3-1-2-4(13-3)6(12)10-8/h1-2H,7-8H2,(H,9,11)(H,10,12)
• InChIKey: NAOBCGXDNBUEJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: furan-2,5-dicarbohydrazide
• IUPAC Traditional name: furan-2,5-dicarbohydrazide
• Synonyms: Furan-2,5-dicarbohydrazide

Database IDs

• CAS Number: 26095-97-6
• MDL Number: MFCD00612475
• PubChem SID: 161000315
• PubChem CID: 232265

CALCULATED PROPERTIES

• Acid pKa: 11.23952
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -1.9390833
• LogD (pH = 7.4): -1.9382443
• Log P: -1.9381772
• Molar Refractivity: 45.4514 cm^3
• Polarizability: 15.934525 Å^3
• Polar Surface Area: 123.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false