Alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate

CAS

94213-27-1

Catalog Number

ACM94213271

Category

Other Products

Molecular Weight

283.278720 [g/mol]

Molecular Formula

C₁₄H₁₁NO₂.C₂H₄O₂

MSDS COA Spec Sheet

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Specification

Synonyms

94213-27-1, EINECS 303-730-0, alpha-Cyano-alpha-hydroxy-3-phenoxybenzyl acetate, alpha-cyano-alpha-hydroxy-3-phenoxybenzylacetate

IUPAC Name

[cyano-hydroxy-(3-phenoxyphenyl)methyl] acetate

Canonical SMILES

CC(=O)OC(C#N)(C1=CC(=CC=C1)OC2=CC=CC=C2)O

InChI Key

JVQCKDMHSUNKRM-UHFFFAOYSA-N

EC Number

303-730-0

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

The molecular formula is C16H13NO4.

When was alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate first created?

It was created on July 11, 2007.

What is the molecular weight of alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

The molecular weight is 283.28 g/mol.

What is the IUPAC Name of alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

The IUPAC Name is [cyano-hydroxy-(3-phenoxyphenyl)methyl] acetate.

What is the InChIKey of alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

The InChIKey is JVQCKDMHSUNKRM-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

There is 1 hydrogen bond donor count.

What is the XLogP3-AA value of alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

The XLogP3-AA value is 2.4.

What is the CAS number of alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

The CAS number is 94213-27-1.

How many heavy atoms are there in alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate?

There are 21 heavy atoms.

Is alpha-cyano-alpha-hydroxy-3-phenoxybenzyl acetate a canonicalized compound?

Yes, it is a canonicalized compound.

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