methyl 3-methoxythiophene-2-carboxylate

• ChemBase ID: 295623
• Molecular Formular: C7H8O3S
• Molecular Mass: 172.20162
• Monoisotopic Mass: 172.01941512
• SMILES: COc1ccsc1C(=O)OC
• Canonical SMILES: COC(=O)c1sccc1OC
• InChI: InChI=1S/C7H8O3S/c1-9-5-3-4-11-6(5)7(8)10-2/h3-4H,1-2H3
• InChIKey: MWADWXJPBMFRGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 3-methoxythiophene-2-carboxylate
• IUPAC Traditional name: methyl 3-methoxythiophene-2-carboxylate
• Synonyms: 3-Methoxythiophene-2-carboxylic acid methyl ester; Methyl 3-methoxythiophene-2-carboxylate; Methyl 3-Methoxythiophene-2-carboxylate; 3-甲氧基噻吩-2-羧酸甲酯

Database IDs

• CAS Number: 62353-75-7
• MDL Number: MFCD00102115
• PubChem SID: 180681154
• PubChem CID: 701637

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7319329
• LogD (pH = 7.4): 1.7319329
• Log P: 1.7319329
• Molar Refractivity: 41.4364 cm^3
• Polarizability: 16.02564 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-63°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%