1-(3,4-Dimethoxyphenyl)cyclopentanecarboxylic acid

• CAS: 43129-41-5
• Catalog Number: ACM43129415
• Category: Ethers
• Molecular Weight: 250.29
• Molecular Formula: C₁₄H₁₇NO₂
• Synonyms: 1-(3,4-dimethoxyphenyl)cyclopentanecarboxylic acid, 43129-41-5, ST064965, BAS 00700617, AC1LFES6, AC1Q5UJK, AC1Q4C7D, Oprea1_588903, Oprea1_622815, CTK4I7046, MolPort-001-943-692, HMS1678M02, KST-1B4293, AR-1B1253, STK996137, AKOS000547456, AG-F-52982, MCULE-8809508714, AK-97944, AB1008879
• IUPAC Name: 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid
• Canonical SMILES: COC1=C(C=C(C=C1)C2(CCCC2)C(=O)O)OC
• InChI Key: XKZPEWPCGQOEIS-UHFFFAOYSA-N
• Boiling Point: 403.7ºC at 760 mmHg
• Flash Point: 150.5ºC
• Density: 1.182g/cm³
• Exact Mass: 250.12100
• Hazard Statements: H302-H318
• H-Bond Acceptor: 4
• H-Bond Donor: 1
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound with PubChem CID 776910?

The molecular formula is C14H18O4.

What is the IUPAC Name of the compound?

The IUPAC Name is 1-(3,4-dimethoxyphenyl)cyclopentane-1-carboxylic acid.

What is the Molecular Weight of the compound?

The Molecular Weight is 250.29 g/mol.

What is the InChIKey of the compound?

The InChIKey is XKZPEWPCGQOEIS-UHFFFAOYSA-N.

How many Hydrogen Bond Acceptor Count does the compound have?

The compound has 4 Hydrogen Bond Acceptor Counts.

What is the Exact Mass of the compound?

The Exact Mass is 250.12050905 g/mol.

Is the Compound Is Canonicalized?

Yes, the compound is Canonicalized.

How many Rotatable Bond Count does the compound have?

The compound has 4 Rotatable Bond Count.

What is the Topological Polar Surface Area of the compound?

The Topological Polar Surface Area is 55.8Ų.

When was the compound last modified on PubChem?

The compound was last modified on 2023-11-25.