Home Other Building Blocks 1(2H)-Pyridinepropanoic acid, 2-oxo-5-(trifluoromethyl)-

1(2H)-Pyridinepropanoic acid, 2-oxo-5-(trifluoromethyl)-

CAS No.:
175277-72-2
Catalog Number:
AG0020T8
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$481
- +
5g
1 week
United States
$2262
- +
10g
1 week
United States
$3605
- +
Product Description
Catalog Number:
AG0020T8
Chemical Name:
1(2H)-Pyridinepropanoic acid, 2-oxo-5-(trifluoromethyl)-
CAS Number:
175277-72-2
Molecular Formula:
C9H8F3NO3
Molecular Weight:
235.1599
MDL Number:
MFCD00204217
IUPAC Name:
3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoic acid
InChI:
InChI=1S/C9H8F3NO3/c10-9(11,12)6-1-2-7(14)13(5-6)4-3-8(15)16/h1-2,5H,3-4H2,(H,15,16)
InChI Key:
UNNXVYFHRXGORP-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cc(ccc1=O)C(F)(F)F
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.162g/mol
Monoisotopic Mass:
235.046g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties