1,2-Ethanediol,1,1,2-triphenyl-,2-acetate,(2S)-

• CAS: 95061-51-1
• Catalog Number: ACM95061511
• Category: Other Products
• Molecular Weight: 332.39
• Molecular Formula: C₂₂H₂₀O₃
• Synonyms: ZINC00155327, 95061-51-1
• IUPAC Name: [(1S)-2-hydroxy-1,2,2-tri(phenyl)ethyl] acetate
• SMILES: CC(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
• InChI Key: GXLZCXZLVDUDHP-NRFANRHFSA-N
• Boiling Point: 487.6ºC at 760mmHg
• Melting Point: 246-249ºC
• Flash Point: 197.6ºC
• Density: 1.18g/cm³
• Appearance: white to light yellow crystal powder
• Exact Mass: 332.14100
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Safety Description: S24/25

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C22H20O3.

What are the synonyms of the compound?

The synonyms include 95061-51-1, (S)-2-Hydroxy-1,2,2-triphenylethyl acetate, (S)-(-)-2-hydroxy-1,2,2-triphenylethyl acetate, (1s)-2-hydroxy-1,2,2-triphenylethyl acetate, and s-(-)-2-hydroxy-1,2,2-triphenylethyl acetate.

What is the molecular weight of the compound?

The molecular weight is 332.4 g/mol.

When was the compound created and modified?

The compound was created on 2005-07-08 and last modified on 2023-12-30.

What is the IUPAC name of the compound?

The IUPAC name is [(1S)-2-hydroxy-1,2,2-triphenylethyl] acetate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H20O3/c1-17(23)25-21(18-11-5-2-6-12-18)22(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16,21,24H,1H3/t21-/m0/s1.

What is the InChIKey of the compound?

The InChIKey is GXLZCXZLVDUDHP-NRFANRHFSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.

Is the compound canonicalized?

Yes, the compound is canonicalized.