(2H3)Acetic (2H)acid

C₂D₄O₂CAS 1186-52-364.08 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₂D₄O₂
Molar mass: 64.08 g/mol
Exact mass: 64.0462 Da
Density: 1.137 g/mL (at 25 °C)
Melting point: 15.8–16 °C
logP: 0.09Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

1186-52-3

SMILES

[2H]OC(=O)C([2H])([2H])[2H]

InChIKey

QTBSBXVTEAMEQO-GUEYOVJQSA-N

InChI

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD

Weigh it out

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

Names and synonyms

7 names

Acetic acid-D4
Acetic-d3 acid-d
Tetradeuteroacetic acid
Perdeuterioacetic acid
Acetic acid (CD3COOD)
Tetradeuterioacetic acid
Perdeuteroacetic acid

Work with (2H3)Acetic (2H)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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetic acid64-19-7Unlabelled Potassium acetate127-08-2Salt, unlabelled Aluminium diacetate142-03-0Salt, unlabelled Copper(II) acetate142-71-2Salt, unlabelled Lead(II) acetate301-04-2Salt, unlabelled Calcium acetate62-54-4Salt, unlabelled Mercury(II) acetate1600-27-7Salt, unlabelled 4-Aminophenylmercuric acetate6283-24-5Salt, unlabelled Aluminium triacetate139-12-8Salt, unlabelled Basic lead acetate1335-32-6Salt, unlabelled Cobalt(II) acetate71-48-7Salt, unlabelled Lead(IV) acetate546-67-8Salt, unlabelled

Similar compounds

Deuterated acetone666-52-433 % similar

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

Same formula

Methyl formate107-31-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook