Home Other Building Blocks 3-Methoxy-3-oxoprop-1-en-1-yl 4-(trifluoromethyl)benzoate

3-Methoxy-3-oxoprop-1-en-1-yl 4-(trifluoromethyl)benzoate

CAS No.:
400878-21-9
Catalog Number:
AG00CAVA
Molecular Formula:
C12H9F3O4
Molecular Weight:
274.1927
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$128
- +
1g
95%
1 week
United States
$309
- +
Product Description
Catalog Number:
AG00CAVA
Chemical Name:
3-Methoxy-3-oxoprop-1-en-1-yl 4-(trifluoromethyl)benzoate
CAS Number:
400878-21-9
Molecular Formula:
C12H9F3O4
Molecular Weight:
274.1927
MDL Number:
MFCD03001265
IUPAC Name:
(3-methoxy-3-oxoprop-1-enyl) 4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C12H9F3O4/c1-18-10(16)6-7-19-11(17)8-2-4-9(5-3-8)12(13,14)15/h2-7H,1H3
InChI Key:
PCVMIBKJGDEZEK-UHFFFAOYSA-N
SMILES:
COC(=O)/C=C/OC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
355  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.045g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.195g/mol
Monoisotopic Mass:
274.045g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
2.7  
Properties