Acenaphthene-D10

C₁₂D₁₀CAS 15067-26-2164.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂D₁₀
Molar mass: 164.27 g/mol
Exact mass: 164.1410 Da
logP: 2.94Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation60% of notifiers
H319 Causes serious eye irritation60% of notifiers
H335 May cause respiratory irritation60% of notifiers
H400 Very toxic to aquatic life80% of notifiers
H410 Very toxic to aquatic life with long lasting effects80% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

15067-26-2

SMILES

[2H]C1=C(C2=C3C(=C1[2H])C(C(C3=C(C(=C2[2H])[2H])[2H])([2H])[2H])([2H])[2H])[2H]

InChIKey

CWRYPZZKDGJXCA-WHUVPORUSA-N

InChI

InChI=1S/C12H10/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-6H,7-8H2/i1D,2D,3D,4D,5D,6D,7D2,8D2

Weigh it out

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

Work with Acenaphthene-D10

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.

Acenaphthene83-32-9Unlabelled

Similar compounds

(2H8)Naphthalene1146-65-233 % similar (2H10)Anthracene1719-06-830 % similar

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

Same formula

1-Vinylnaphthalene826-74-4 2-Vinylnaphthalene827-54-3 Biphenyl92-52-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook