Hydroxypivalic acid

C5H10O3CAS 4835-90-9118.13 g/mol

Open in Covalent MOL file
HOOOH
AlcoholCarboxylic acid

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
Melting point
124–125 °C
Boiling point
113–119 °C (at 5 Torr)
logP
0.09Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 183 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
4835-90-9
SMILES
CC(C)(CO)C(=O)O
InChIKey
RDFQSFOGKVZWKF-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3/c1-5(2,3-6)4(7)8/h6H,3H2,1-2H3,(H,7,8)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Propanoic acid, 3-hydroxy-2,2-dimethyl-
  • Hydracrylic acid, 2,2-dimethyl-
  • 3-Hydroxy-2,2-dimethylpropanoic acid
  • α,α-Dimethyl-β-hydroxypropionic acid
  • Oxypivalic acid
  • 2,2-Dimethylhydracrylic acid
  • 3-Hydroxy-2,2-dimethylpropionic acid
  • 2,2-Dimethyl-3-hydroxypropanoic acid
  • 2,2-Dimethyl-3-hydroxypropionic acid
  • NSC 115936

Work with Hydroxypivalic 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

2,2,6,6-Tetramethylpimelic acid2941-45-960 % similar Dimethylolpropionic acid4767-03-760 % similar 2,2-Dimethylbutanoic acid595-37-960 % similar Beta-Chloropivalic acid13511-38-158 % similar 2,2-Dimethylpentanoic acid1185-39-356 % similar 2,2-Dimethylsuccinic acid597-43-356 % similar 2-Methyl-L-serine16820-18-154 % similar 2-Methylserine5424-29-354 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 Methyl alpha-hydroxyisobutyrate2110-78-3 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-9 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook