7-(3,4-Dimethoxyphenyl)-7-oxoheptanoic acid

• Catalog Number: ACMA00002501
• Category: Ethers
• Molecular Weight: 280.32
• Molecular Formula: C₁₅H₁₉NO₄
• Hazard Statements: H301
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS06

Custom Q&A

What is the molecular formula of the compound with PubChem CID 24727092?

The molecular formula is C15H20O5.

What is the molecular weight of the compound?

The molecular weight is 280.32 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 7-(3,4-dimethoxyphenyl)-7-oxoheptanoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C15H20O5/c1-19-13-9-8-11(10-14(13)20-2)12(16)6-4-3-5-7-15(17)18/h8-10H,3-7H2,1-2H3,(H,17,18).

What is the InChIKey of the compound?

The InChIKey is RLFOBMKXZSCXQQ-UHFFFAOYSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is COC1=C(C=C(C=C1)C(=O)CCCCCC(=O)O)OC.

How many hydrogen bond donors are in the compound?

There is 1 hydrogen bond donor.

How many hydrogen bond acceptors are in the compound?

There are 5 hydrogen bond acceptors.

What is the XLogP3 value of the compound?

The XLogP3 value is 2.4.

Is the compound canonicalized?

Yes, the compound is canonicalized.