Name: Name:2-[5-(trifluoromethyl)oxolan-2-yl]acetic acid, Mixture of diastereomers
Brand: Angene
SKU: AG01EKN5
Rating: 90 (10 reviews)

2-[5-(trifluoromethyl)oxolan-2-yl]acetic acid, Mixture of diastereomers

CAS No.:

2126178-97-8

Catalog Number:

AG01EKN5

Molecular Formula:

C7H9F3O3

Molecular Weight:

198.1398

Catalog Number:

AG01EKN5

Chemical Name:

2-[5-(trifluoromethyl)oxolan-2-yl]acetic acid, Mixture of diastereomers

CAS Number:

2126178-97-8

Molecular Formula:

C7H9F3O3

Molecular Weight:

198.1398

MDL Number:

MFCD31381452

IUPAC Name:

2-[5-(trifluoromethyl)oxolan-2-yl]acetic acid

InChI:

InChI=1S/C7H9F3O3/c8-7(9,10)5-2-1-4(13-5)3-6(11)12/h4-5H,1-3H2,(H,11,12)

InChI Key:

ITFXWGRSNFEWHS-UHFFFAOYSA-N

SMILES:

OC(=O)CC1CCC(O1)C(F)(F)F

Complexity:

202

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

198.05g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

198.141g/mol

Monoisotopic Mass:

198.05g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3