Name: Name:3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoic acid
Brand: Angene
SKU: AG01A8NB
Rating: 90 (10 reviews)

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoic acid

CAS No.:

1235439-17-4

Catalog Number:

AG01A8NB

Molecular Formula:

C12H13F3O4

Molecular Weight:

278.2244

Catalog Number:

AG01A8NB

Chemical Name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoic acid

CAS Number:

1235439-17-4

Molecular Formula:

C12H13F3O4

Molecular Weight:

278.2244

MDL Number:

MFCD16040122

IUPAC Name:

3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanoic acid

InChI:

InChI=1S/C12H13F3O4/c1-18-10-6-8(3-5-11(16)17)2-4-9(10)19-7-12(13,14)15/h2,4,6H,3,5,7H2,1H3,(H,16,17)

InChI Key:

JRQVSAGJQBOIDQ-UHFFFAOYSA-N

SMILES:

COc1cc(CCC(=O)O)ccc1OCC(F)(F)F

Complexity:

293

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.077g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.227g/mol

Monoisotopic Mass:

278.077g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3