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Home Other Building Blocks 2-Ethyl-2-hydroxybutanoic acid

2-Ethyl-2-hydroxybutanoic acid

CAS No.:
3639-21-2
Catalog Number:
AG003H6U
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
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Product Description
Catalog Number:
AG003H6U
Chemical Name:
2-Ethyl-2-hydroxybutanoic acid
CAS Number:
3639-21-2
Molecular Formula:
C6H12O3
Molecular Weight:
132.1577
MDL Number:
MFCD00004183
IUPAC Name:
2-ethyl-2-hydroxybutanoic acid
InChI:
InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChI Key:
LXVSANCQXSSLPA-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)(CC)O
EC Number:
222-867-6
Properties
Complexity:
105  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.079g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
132.159g/mol
Monoisotopic Mass:
132.079g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Potentiometric, spectroscopic, electrochemical and DFT characterization of oxovanadium(IV) complexes formed by citrate and tartrates in aqueous solution at high ligand to metal molar ratios: the effects of the trigonal bipyramidal distortion in bis-chelated species and biological implications. Dalton transactions (Cambridge, England : 2003) 20080928
Oxidative activation of the human carcinogen chromate by arsenite: a model for synergistic metal activation leading to oxidative DNA damage. Toxicology in vitro : an international journal published in association with BIBRA 20041201
X-ray absorption spectroscopic studies of chromium(V/IV/III)- 2-ethyl-2-hydroxybutanoato(2-/1-) complexes. Inorganic chemistry 20040209
Vanadium(V) complexes of alpha-hydroxycarboxylic acids in aqueous solution. Inorganic chemistry 20011119
Electron transfer. 147. Reductions with gallium(I). Inorganic chemistry 20010312
An investigation of the chromium oxidation state of a monoanionic chromium tris(catecholate) complex by X-ray absorption and EPR spectroscopies. Inorganic chemistry 20010115
Properties