2-ethoxynaphthalene-1-carbaldehyde

• ChemBase ID: 15455
• Molecular Formular: C13H12O2
• Molecular Mass: 200.23318
• Monoisotopic Mass: 200.08372962
• SMILES: c1(c2c(ccc1OCC)cccc2)C=O
• Canonical SMILES: CCOc1ccc2c(c1C=O)cccc2
• InChI: InChI=1S/C13H12O2/c1-2-15-13-8-7-10-5-3-4-6-11(10)12(13)9-14/h3-9H,2H2,1H3
• InChIKey: IMNKQTWVJHODOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxynaphthalene-1-carbaldehyde
• IUPAC Traditional name: 2-ethoxynaphthalene-1-carbaldehyde
• Synonyms: 2-Ethoxy-1-naphthaldehyde; 2-Ethoxynaphthalene-1-carboxaldehyde; 2-Ethoxy-1-naphthaldehyde; 2-乙氧基-1-萘亚甲基醛

Database IDs

• CAS Number: 19523-57-0
• EC Number: 243-126-3
• MDL Number: MFCD00046427
• Beilstein Number: 1073578
• PubChem SID: 160978762
• PubChem CID: 88099

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8743615
• LogD (pH = 7.4): 2.8743615
• Log P: 2.8743615
• Molar Refractivity: 60.304 cm^3
• Polarizability: 24.13754 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 111-113°C

Safety Information

• Storage Warning: Air Sensitive; IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 98%

DETAILS

MP Biomedicals - 05224733

MP Biomedicals Rare Chemical collection