7-(3-Methoxyphenyl)-7-oxoheptanoic acid

• Catalog Number: ACMA00002428
• Category: Ethers
• Molecular Weight: 250.29
• Molecular Formula: C₁₄H₁₈O₃
• Hazard Statements: H302-H319
• RIDADR: UN 3077 9 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C14H18O4.

What is the molecular weight of the compound?

The molecular weight of the compound is 250.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 7-(3-methoxyphenyl)-7-oxoheptanoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C14H18O4/c1-18-12-7-5-6-11(10-12)13(15)8-3-2-4-9-14(16)17/h5-7,10H,2-4,8-9H2,1H3,(H,16,17).

What is the InChIKey of the compound?

The InChIKey of the compound is QAGAEXVSIVDMPT-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC1=CC=CC(=C1)C(=O)CCCCCC(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 898765-60-1.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID00645298.

What is the XLogP3 value of the compound?

The XLogP3 value of the compound is 2.5.

Is the compound canonicalized?

Yes, the compound is canonicalized.