Butanoic acid,2-hydroxy-3,3-dimethyl-, (2S)- (21641-92-9)

The (S)-(-)-2-Hydroxy-3,3-dimethylbutyric acid with the cas number 21641-92-9, is also called 2-Hydroxy-3,3-dimethylbutyric acid. The IUPAC name is (2S)-2-hydroxy-3,3-dimethylbutanoic acid. This chemical belongs to the following product categories: (1)Carboxylic Acids; (2)Chiral Building Blocks; (3)Organic Building Blocks.

Properties Computed from Structure: (1)XLogP3-AA: 0.9; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 2; (5)Exact Mass: 132.078644; (6)MonoIsotopic Mass: 132.078644; (7)Topological Polar Surface Area: 57.5; (8)Heavy Atom Count: 9; (9)Formal Charge: 0; (10)Complexity: 112; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 1; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1.

When you are using this chemical, please be cautious about it as the following: (1)Irritating to eyes, respiratory system and skin; (2)In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; (3)Wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)C(C(=O)O)O
(2)InChI: InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
(3)InChIKey: FWVNWTNCNWRCOU-SCSAIBSYSA-N