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

• ChemBase ID: 42635
• Molecular Formular: C13H10N2O2
• Molecular Mass: 226.2307
• Monoisotopic Mass: 226.07422757
• SMILES: c1(cc2c(o1)ccc1c2cccc1)C(=O)NN
• Canonical SMILES: NNC(=O)c1oc2c(c1)c1ccccc1cc2
• InChI: InChI=1S/C13H10N2O2/c14-15-13(16)12-7-10-9-4-2-1-3-8(9)5-6-11(10)17-12/h1-7H,14H2,(H,15,16)
• InChIKey: LAMSRGJJBGMGDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 53524-88-2
• MDL Number: MFCD02571397
• PubChem SID: 162047398
• PubChem CID: 2764524

CALCULATED PROPERTIES

• Acid pKa: 12.508931
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.5955421
• LogD (pH = 7.4): 1.5960028
• Log P: 1.5960118
• Molar Refractivity: 64.7893 cm^3
• Polarizability: 26.51801 Å^3
• Polar Surface Area: 68.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 252 - 255 °C; 252-255°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%