86884-21-1 | (+/-)-3-Hydroxy-4,4,4-trifluorobutanoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$101.00	$71.00
5g	95%	in stock	$283.00	$198.00
10g	95%	in stock	$450.00	$315.00
25g	95%	in stock	$1,022.00	$716.00

Description

• Catalog Number: AD91915
• Chemical Name: (+/-)-3-Hydroxy-4,4,4-trifluorobutanoic acid
• CAS Number: 86884-21-1
• Molecular Formula: C4H5F3O3
• Molecular Weight: 158.0759096
• MDL Number: MFCD00088012
• SMILES: OC(C(F)(F)F)CC(=O)O
• NSC Number: 22072

Computed Properties

• Complexity: 130
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• Undefined Atom Stereocenter Count: 1
• XLogP3: 0.2

Literature

• Practical asymmetric synthetic route to 4,4,4-trifluoro-3-hydroxybutyrate: head-to-tail and head-to-head crystallizations through double and single hydrogen bonds of hetero- and homochiral 4,4,4-trifluoro-3-hydroxybutyrophenones.

  Chirality 20021001