Name: Name:2-[(1,4-dioxan-2-yl)methyl]-3,3,3-trifluoropropanoic acid
Brand: Angene
SKU: AG01B1XO
Rating: 90 (10 reviews)

2-[(1,4-dioxan-2-yl)methyl]-3,3,3-trifluoropropanoic acid

CAS No.:

1909337-84-3

Catalog Number:

AG01B1XO

Molecular Formula:

C8H11F3O4

Molecular Weight:

228.1657

Catalog Number:

AG01B1XO

Chemical Name:

2-[(1,4-dioxan-2-yl)methyl]-3,3,3-trifluoropropanoic acid

CAS Number:

1909337-84-3

Molecular Formula:

C8H11F3O4

Molecular Weight:

228.1657

MDL Number:

MFCD29907220

IUPAC Name:

2-(1,4-dioxan-2-ylmethyl)-3,3,3-trifluoropropanoic acid

InChI:

InChI=1S/C8H11F3O4/c9-8(10,11)6(7(12)13)3-5-4-14-1-2-15-5/h5-6H,1-4H2,(H,12,13)

InChI Key:

WQIKSOQPKGGKRQ-UHFFFAOYSA-N

SMILES:

OC(=O)C(C(F)(F)F)CC1OCCOC1

Complexity:

228

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

228.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.167g/mol

Monoisotopic Mass:

228.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8