Banner
Structure

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

CAS
93618-66-7
Catalog Number
ACM93618667
Category
Other Products
Molecular Weight
246.18
Molecular Formula
C11H9F3O3

If you have any other questions or need other size, please get a quote.

  • Product Description
  • Case Study
  • Custom Reviews
  • Custom Q&A
  • Synthetic Use
  • Related Resources

Specification

Synonyms
ZINC00153854, CID735880, 93618-66-7
IUPAC Name
methyl 3-oxo-3-[3-(trifluoromethyl)phenyl]propanoate
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
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.

Alfa Chemistry

For product inquiries, please use our online system or send an email to .

Alfa Chemistry
Inquiry Basket
qrcodex
Download
Verification code
* I hereby give my consent that I may receive marketing e-mails with information on existing and new services from this company. I know that I can opt-out from receiving such e-mails at any time or by using the link which will be provided in each marketing e-mail.