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Structure

3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-

CAS
925233-26-7
Catalog Number
ACM925233267
Category
Other Products
Molecular Formula
C10H12ClNO2

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What is the molecular formula of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The molecular formula is C10H12ClNO2.

What is the molecular weight of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The molecular weight is 213.66 g/mol.

What is the IUPAC name of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The IUPAC name is 1-(2-chloro-3-hydroxyphenyl)pyrrolidin-3-ol.

What is the InChI of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The InChI is InChI=1S/C10H12ClNO2/c11-10-8(2-1-3-9(10)14)12-5-4-7(13)6-12/h1-3,7,13-14H,4-6H2.

What is the InChIKey of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The InChIKey is SXOZZVSGGDJHNG-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The canonical SMILES is C1CN(CC1O)C2=C(C(=CC=C2)O)Cl.

What is the XLogP3-AA value of 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)-?

The XLogP3-AA value is 1.8.

How many hydrogen bond donor counts does 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)- have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)- have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-Pyrrolidinol,1-(2-chloro-3-hydroxyphenyl)- have?

It has 1 rotatable bond count.

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