Methyl benzoate-d8

• CAS: 91929-46-3
• Catalog Number: ACM91929463
• Category: Other Products
• Molecular Weight: 144.20
• Molecular Formula: C₈D₈O₂
• Synonyms: METHYL BENZOATE-D8
• IUPAC Name: trideuteriomethyl 2,3,4,5,6-pentadeuteriobenzoate
• InChI: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D
• InChI Key: QPJVMBTYPHYUOC-JGUCLWPXSA-N
• Boiling Point: 198-199 °C (lit.)
• Melting Point: -12 °C (lit.)
• Density: 1.152 g/mL at 25 °C
• Chemical Formula: C6D5COOCD3
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)OC([2H])([2H])[2H])[2H])[2H]
• Stability: Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
• Storage Conditions: Store at room temperature

Custom Q&A

What is the PubChem CID of Methyl benzoate-d8?

PubChem CID of Methyl benzoate-d8 is 71309042.

What is the molecular formula of Methyl benzoate-d8?

The molecular formula of Methyl benzoate-d8 is C8H8O2.

What are the synonyms of Methyl benzoate-d8?

The synonyms of Methyl benzoate-d8 are trideuteriomethyl 2,3,4,5,6-pentadeuteriobenzoate, SCHEMBL1332557.

What is the molecular weight of Methyl benzoate-d8?

The molecular weight of Methyl benzoate-d8 is 144.20 g/mol.

When was Methyl benzoate-d8 created in PubChem?

Methyl benzoate-d8 was created in PubChem on May 17, 2013.

What is the IUPAC name of Methyl benzoate-d8?

The IUPAC name of Methyl benzoate-d8 is trideuteriomethyl 2,3,4,5,6-pentadeuteriobenzoate.

What is the InChI of Methyl benzoate-d8?

The InChI of Methyl benzoate-d8 is InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D.

What is the InChIKey of Methyl benzoate-d8?

The InChIKey of Methyl benzoate-d8 is QPJVMBTYPHYUOC-JGUCLWPXSA-N.

What is the canonical SMILES of Methyl benzoate-d8?

The canonical SMILES of Methyl benzoate-d8 is COC(=O)C1=CC=CC=C1.

What is the XLogP3 value of Methyl benzoate-d8?

The XLogP3 value of Methyl benzoate-d8 is 2.1.