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Structure

3-(2-Chloro-phenylsulfanyl)-propionic acid

CAS
99585-16-7
Catalog Number
ACM99585167
Category
Other Products
Molecular Formula
C9H9ClO2S

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Specification

Density
g/cm³
What is the molecular formula of the compound?

The molecular formula of the compound is C9H9ClO2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 216.68 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 3-(2-chlorophenyl)sulfanylpropanoic acid.

What is the InChIKey of the compound?

The InChIKey of the compound is NYUNDDKGPQCWPL-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound?

There is one hydrogen bond donor count in the compound.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.6.

How many hydrogen bond acceptor count are there in the compound?

There are three hydrogen bond acceptor counts in the compound.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 62.6 Å2.

How many rotatable bond count are there in the compound?

There are four rotatable bond count in the compound.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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