8-methoxy-2H-chromene-3-carbaldehyde

• ChemBase ID: 306882
• Molecular Formular: C11H10O3
• Molecular Mass: 190.1953
• Monoisotopic Mass: 190.06299418
• SMILES: O1c2c(C=C(C1)C=O)cccc2OC
• Canonical SMILES: COc1cccc2c1OCC(=C2)C=O
• InChI: InChI=1S/C11H10O3/c1-13-10-4-2-3-9-5-8(6-12)7-14-11(9)10/h2-6H,7H2,1H3
• InChIKey: XLGMCLXPMVMVRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-2H-chromene-3-carbaldehyde
• IUPAC Traditional name: 8-methoxy-2H-chromene-3-carbaldehyde
• Synonyms: 8-methoxy-2H-chromene-3-carbaldehyde

Database IDs

• CAS Number: 57543-38-1
• MDL Number: MFCD01662420

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2954838
• LogD (pH = 7.4): 1.2954838
• Log P: 1.2954838
• Molar Refractivity: 52.9314 cm^3
• Polarizability: 20.066082 Å^3
• Polar Surface Area: 35.53 Å^2