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Structure

(3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate

CAS
936251-95-5
Catalog Number
ACM936251955
Category
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What is the molecular formula of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The molecular formula is C12H14O3.

What is the molecular weight of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The molecular weight is 206.24 g/mol.

What is the IUPAC name of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The IUPAC name is [(3R,5R)-5-phenyloxolan-3-yl] acetate.

What is the InChI of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The InChI is InChI=1S/C12H14O3/c1-9(13)15-11-7-12(14-8-11)10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3/t11-,12-/m1/s1.

What is the InChIKey of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The InChIKey is WVLNGJLSAOPEFZ-VXGBXAGGSA-N.

What is the canonical SMILES representation of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The canonical SMILES is CC(=O)OC1CC(OC1)C2=CC=CC=C2.

What is the isomeric SMILES representation of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The isomeric SMILES is CC(=O)O[C@@H]1C[C@@H](OC1)C2=CC=CC=C2.

What is the XLogP3-AA value of (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate?

The XLogP3-AA value is 1.7.

How many hydrogen bond donor counts does (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate have?

It has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does (3R,5R)-5-Phenyltetrahydrofuran-3-yl acetate have?

It has 3 hydrogen bond acceptor counts.

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