3-(2-formylphenoxy)propanamide

• ChemBase ID: 266020
• Molecular Formular: C10H11NO3
• Molecular Mass: 193.19924
• Monoisotopic Mass: 193.07389322
• SMILES: C(=O)(CCOc1c(C=O)cccc1)N
• Canonical SMILES: O=Cc1ccccc1OCCC(=O)N
• InChI: InChI=1S/C10H11NO3/c11-10(13)5-6-14-9-4-2-1-3-8(9)7-12/h1-4,7H,5-6H2,(H2,11,13)
• InChIKey: COKCRVJLXSTFKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-formylphenoxy)propanamide
• IUPAC Traditional name: 3-(2-formylphenoxy)propanamide
• Synonyms: 3-(2-formylphenoxy)propanamide

Database IDs

• MDL Number: MFCD11206105
• PubChem SID: 164321930
• PubChem CID: 43152548

CALCULATED PROPERTIES

• Acid pKa: 15.658569
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.43613032
• LogD (pH = 7.4): 0.43613032
• Log P: 0.43613032
• Molar Refractivity: 51.7114 cm^3
• Polarizability: 19.655602 Å^3
• Polar Surface Area: 69.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.647

Product Information

• Purity: 95%