2-(2,3-dihydro-1H-inden-5-yloxy)acetohydrazide

• ChemBase ID: 27181
• Molecular Formular: C11H14N2O2
• Molecular Mass: 206.24106
• Monoisotopic Mass: 206.1055277
• SMILES: C(=O)(NN)COc1cc2c(cc1)CCC2
• Canonical SMILES: NNC(=O)COc1ccc2c(c1)CCC2
• InChI: InChI=1S/C11H14N2O2/c12-13-11(14)7-15-10-5-4-8-2-1-3-9(8)6-10/h4-6H,1-3,7,12H2,(H,13,14)
• InChIKey: QSYLSFHARIIARB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetohydrazide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-5-yloxy)acetohydrazide
• Synonyms: 2-(2,3-Dihydro-1H-inden-5-yloxy)acetohydrazide

Database IDs

• CAS Number: 667437-07-2
• MDL Number: MFCD03423117
• PubChem SID: 160990488
• PubChem CID: 3251766

CALCULATED PROPERTIES

• Acid pKa: 12.368746
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.1964071
• LogD (pH = 7.4): 1.197803
• Log P: 1.1978251
• Molar Refractivity: 57.7933 cm^3
• Polarizability: 21.966286 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false