3-methoxy-2-(prop-2-en-1-yloxy)benzaldehyde

• ChemBase ID: 30717
• Molecular Formular: C11H12O3
• Molecular Mass: 192.21118
• Monoisotopic Mass: 192.07864424
• SMILES: c1(c(C=O)cccc1OC)OCC=C
• Canonical SMILES: C=CCOc1c(OC)cccc1C=O
• InChI: InChI=1S/C11H12O3/c1-3-7-14-11-9(8-12)5-4-6-10(11)13-2/h3-6,8H,1,7H2,2H3
• InChIKey: GLYAZASCWHSRSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-(prop-2-en-1-yloxy)benzaldehyde
• IUPAC Traditional name: 3-methoxy-2-(prop-2-en-1-yloxy)benzaldehyde
• Synonyms: 2-(Allyloxy)-3-methoxybenzenecarbaldehyde

Database IDs

• CAS Number: 23343-06-8
• MDL Number: MFCD03001271
• PubChem SID: 160994024
• PubChem CID: 337562

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1016555
• LogD (pH = 7.4): 2.1016555
• Log P: 2.1016555
• Molar Refractivity: 54.7311 cm^3
• Polarizability: 20.70137 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: Oil

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%