Name: Name:Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester
Brand: Angene
SKU: AG001ANK
Rating: 90 (10 reviews)

Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester

CAS No.:

1392803-31-4

Catalog Number:

AG001ANK

Molecular Formula:

C7H9F3O3

Molecular Weight:

198.1398

Catalog Number:

AG001ANK

Chemical Name:

Cyclobutanecarboxylic acid, 3-hydroxy-3-(trifluoromethyl)-, methyl ester

CAS Number:

1392803-31-4

Molecular Formula:

C7H9F3O3

Molecular Weight:

198.1398

MDL Number:

MFCD23106188

IUPAC Name:

methyl 3-hydroxy-3-(trifluoromethyl)cyclobutane-1-carboxylate

InChI:

InChI=1S/C7H9F3O3/c1-13-5(11)4-2-6(12,3-4)7(8,9)10/h4,12H,2-3H2,1H3

InChI Key:

MHVAMXOAFNRYMI-UHFFFAOYSA-N

SMILES:

COC(=O)C1CC(C1)(O)C(F)(F)F

Complexity:

218

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:

0.9