4-(prop-2-en-1-yloxy)benzohydrazide

• ChemBase ID: 21667
• Molecular Formular: C10H12N2O2
• Molecular Mass: 192.21448
• Monoisotopic Mass: 192.08987763
• SMILES: C(=O)(c1ccc(cc1)OCC=C)NN
• Canonical SMILES: NNC(=O)c1ccc(cc1)OCC=C
• InChI: InChI=1S/C10H12N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(13)12-11/h2-6H,1,7,11H2,(H,12,13)
• InChIKey: OEWQNCITKNGNRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(prop-2-en-1-yloxy)benzohydrazide
• IUPAC Traditional name: 4-(prop-2-en-1-yloxy)benzohydrazide
• Synonyms: 4-(Allyloxy)benzohydrazide

Database IDs

• MDL Number: MFCD06447097
• PubChem SID: 160984974
• PubChem CID: 4778919

CALCULATED PROPERTIES

• Acid pKa: 14.4990015
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1000428
• LogD (pH = 7.4): 1.1009771
• Log P: 1.100989
• Molar Refractivity: 55.2464 cm^3
• Polarizability: 20.544394 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false