tert-Butoxy acetic acid

C₆H₁₂O₃CAS 13211-32-0132.16 g/mol

Open in Covalent MOL file

Carboxylic acid Ether

Properties

Molecular formula: C₆H₁₂O₃
Molar mass: 132.16 g/mol
Exact mass: 132.0786 Da
logP: 0.89Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

13211-32-0

SMILES

CC(C)(C)OCC(=O)O

InChIKey

HQLILHPGWSURBT-UHFFFAOYSA-N

InChI

InChI=1S/C6H12O3/c1-6(2,3)9-4-5(7)8/h4H2,1-3H3,(H,7,8)

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Names and synonyms

1 names

2-(tert-Butoxy)acetic acid

Work with tert-Butoxy acetic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diglycolic acid110-99-650 % similar Mono-tert-butyl malonate40052-13-950 % similar Methoxyacetic acid625-45-650 % similar Acetoxyacetic acid13831-30-646 % similar Ethoxyacetic acid627-03-246 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-746 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-746 % similar O-(1,1-Dimethylethyl)-D-serine18783-53-445 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Solketal100-79-8 2,5-Bis[hydroxymethyl]tetrahydrofuran104-80-3 tert-Butyl peroxyacetate107-71-1 Propylene glycol methyl ether acetate108-65-6 2-Ethoxyethyl acetate111-15-9 3-(Allyloxy)-1,2-propanediol123-34-2 Paraldehyde123-63-7 L-Leucic acid13748-90-8

Elsewhere

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