5-Methoxyisophthalic Acid

• CAS: 46331-50-4
• Catalog Number: ACM46331504
• Category: Other Products
• Molecular Weight: 196.16
• Molecular Formula: C9H8O5
• IUPAC Name: 5-methoxybenzene-1,3-dicarboxylic acid
• Canonical SMILES: COC1=CC(=CC(=C1)C(=O)O)C(=O)O
• InChI: InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
• InChI Key: POSMIIJADZKUPL-UHFFFAOYSA-N
• Boiling Point: 440.8 °C at 760 mmHg
• Melting Point: 270 °C
• Appearance: White to Almost white powder to crystal
• Storage: Store under inert gas
• Complexity: 215
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 1
• Exact Mass: 196.037173g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 5
• H-Bond Donor: 2
• Heavy Atom Count: 14
• MDL Number: MFCD00272364
• Monoisotopic Mass: 196.037173g/mol
• NSC Number: 302547
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• Rotatable Bond Count: 3
• Signal Word: Warning
• XLogP3: 1.7