Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate

• Catalog Number: ACM93618667
• Product Name: Methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
• CAS: 93618-66-7
• Category: Heterocyclic Organic Compound
• Synonyms: ZINC00153854, CID735880, 93618-66-7
• IUPAC Name: methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
• Molecular Weight: 246.18
• Molecular Formula: C₁₁H₉F₃O₃
• Canonical SMILES: COC(=O)CC(=O)C1=CC(=CC=C1)C(F)(F)F
• InChI Key: RPRMYRPHNDGZOY-UHFFFAOYSA-N
• Boiling Point: 94-96ºC (0.2 mmHg)
• Melting Point: 94-96ºC
• Flash Point: 101.2ºC
• Density: 1.289g/cm³
• Appearance: White to light yellow crystal powder
• Exact Mass: 246.05000
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 6
• H-Bond Donor: 0
• Safety Description: 24/25

Custom Q&A

What is the molecular formula of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The molecular formula is C11H9F3O3.

What is the molecular weight of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The molecular weight is 246.18 g/mol.

What is the IUPAC name of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The IUPAC name is methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate.

What is the CAS number of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The CAS number is 93618-66-7.

What is the InChI of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The InChI is InChI=1S/C11H9F3O3/c1-17-10(16)6-9(15)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3.

What is the InChIKey of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The InChIKey is RPRMYRPHNDGZOY-UHFFFAOYSA-N.

What is the XLogP3-AA value of methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

The XLogP3-AA value is 2.5.

How many hydrogen bond donor counts are there in methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

There are 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts are there in methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

There are 6 hydrogen bond acceptor counts.

How many rotatable bond counts are there in methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate?

There are 4 rotatable bond counts.