1H,2H-naphtho[2,1-b]furan-2-carbohydrazide

• ChemBase ID: 41107
• Molecular Formular: C13H12N2O2
• Molecular Mass: 228.24658
• Monoisotopic Mass: 228.08987763
• SMILES: c12c(OC(C(=O)NN)C1)ccc1c2cccc1
• Canonical SMILES: NNC(=O)C1Oc2c(C1)c1ccccc1cc2
• InChI: InChI=1S/C13H12N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-6,12H,7,14H2,(H,15,16)
• InChIKey: JGYWCTCNNDFZDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H-naphtho[2,1-b]furan-2-carbohydrazide
• IUPAC Traditional name: 1H,2H-naphtho[2,1-b]furan-2-carbohydrazide
• Synonyms: 1,2-Dihydronaphtho[2,1-b]furan-2-carbohydrazide

Database IDs

• MDL Number: MFCD03001255
• PubChem SID: 162045870
• PubChem CID: 2763812

CALCULATED PROPERTIES

• Acid pKa: 12.302631
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.430067
• LogD (pH = 7.4): 1.4314386
• Log P: 1.4314611
• Molar Refractivity: 64.4172 cm^3
• Polarizability: 25.941963 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 183 - 185 °C; 183-185°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%