Products 2733271-85-5

CAS 2733271-85-5 is the registry number for 4-tert-Butylbenzoic-d13 Acid, 99 atom % D, min 98% Chemical Purity. Offered by: CDN. Available pack sizes: 0,25g, 0,1g.

4-tert-Butylbenzoic-d13 Acid, 99 atom % D, min 98% Chemical Purity
CDN
  • size: 0,25g, 0,1g
  • Variants: 2
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Structural formula: {0} (CAS {1})

2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]benzoic acid (CAS 2733271-85-5) is a chemical compound with the molecular formula C11H14O2 and a molecular weight of 191.31 g/mol. IUPAC name: 2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]benzoic acid. InChIKey: KDVYCTOWXSLNNI-JPLVHWSDSA-N.

Identity
Molecular formulaC11H14O2
Molecular weight191.31 g/mol
IUPAC name2,3,5,6-tetradeuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]benzoic acid
InChIKeyKDVYCTOWXSLNNI-JPLVHWSDSA-N
SMILES[2H]C1=C(C(=C(C(=C1C(=O)O)[2H])[2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])[2H]

Computed by PubChem (NCBI)

Synonyms: 4-tert-Butylbenzoic-D13 Acid
Related forms of this compound
4-tert-butylbenzoic acid C11H14O2
Isomers (same molecular formula)
4-[(2-methylpropan-2-yl)oxy]benzaldehyde C11H14O2
(2S)-3-methyl-2-phenylbutanoic acid C11H14O2
2-(2-phenylmethoxyethyl)oxirane C11H14O2
2-(4-methoxyphenyl)oxolane C11H14O2
2,4-diethylbenzoic acid C11H14O2
4-methoxy-3-propan-2-ylbenzaldehyde C11H14O2
methyl 2-(2-methylphenyl)propanoate C11H14O2
2-methyl-2-(4-methylphenyl)propanoic acid C11H14O2
methyl 2-phenylbutanoate C11H14O2
[4-(cyclopropylmethoxy)phenyl]methanol C11H14O2
1-[4-(2-hydroxypropan-2-yl)phenyl]ethanone C11H14O2