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

CAS
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Purity
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CAS
95061-47-5
Size
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Purity
98%
Price
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Availability
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Catalog Number

ACM95061475

Product Name

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

Structure

Structure

CAS

95061-47-5

Category

Heterocyclic Organic Compound

Synonyms

376507_ALDRICH, ZINC00389842, ST5307668, (R)-()-1,1,2-Triphenyl-1,2-ethanediol 2-acetate, 95061-47-5

IUPAC Name

[(1R)-2-hydroxy-1,2,2-tri(phenyl)ethyl] acetate

Molecular Weight

332.39

Molecular Formula

C₂₂H₂₀O₃

Canonical SMILES

CC(=O)OC(C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI Key

GXLZCXZLVDUDHP-OAQYLSRUSA-N

Boiling Point

487.6ºC at 760mmHg

Melting Point

237-240ºC(lit.)

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

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The molecular formula is C22H20O3.

What is the molecular weight of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The molecular weight is 332.4 g/mol.

What is the IUPAC name of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

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

What is the InChI of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The InChI 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-/m1/s1.

What is the InChIKey of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The InChIKey is GXLZCXZLVDUDHP-OAQYLSRUSA-N.

What is the canonical SMILES of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

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

What is the isomeric SMILES of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The isomeric SMILES is CC(=O)O[C@H](C1=CC=CC=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.

What is the CAS number of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The CAS number is 95061-47-5.

What is the XLogP3-AA value of 1,1,2-triphenyl-1,2-ethanediol 2-acetate?

The XLogP3-AA value is 4.

Is 1,1,2-triphenyl-1,2-ethanediol 2-acetate a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.

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