5-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde

• ChemBase ID: 307753
• Molecular Formular: C11H10O3
• Molecular Mass: 190.1953
• Monoisotopic Mass: 190.06299418
• SMILES: c1(c(ccc(c1)OC)OCC#C)C=O
• Canonical SMILES: C#CCOc1ccc(cc1C=O)OC
• InChI: InChI=1S/C11H10O3/c1-3-6-14-11-5-4-10(13-2)7-9(11)8-12/h1,4-5,7-8H,6H2,2H3
• InChIKey: MXTHNBAWXQTWJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde
• IUPAC Traditional name: 5-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde
• Synonyms: 5-methoxy-2-(prop-2-yn-1-yloxy)benzaldehyde

Database IDs

• CAS Number: 224317-65-1
• MDL Number: MFCD02380379

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5984887
• LogD (pH = 7.4): 1.5984887
• Log P: 1.5984887
• Molar Refractivity: 53.1486 cm^3
• Polarizability: 19.849134 Å^3
• Polar Surface Area: 35.53 Å^2