Structure

Asischem d29225

CAS
928708-26-3
Catalog Number
ACM928708263
Category
Other Products
Molecular Formula
C16H17NO3

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Specification

Synonyms
ASISCHEM D29225;[4-(3-FORMYL-2,5-DIMETHYL-PYRROL-1-YL)-PHENYL]-ACETIC ACID METHYL ESTER;4-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-BENZENEACETIC ACID METHYL ESTER;BENZENEACETIC ACID, 4-(3-FORMYL-2,5-DIMETHYL-1H-PYRROL-1-YL)-, METHYL ESTER
What is the molecular formula of Asischem d29225?

The molecular formula of Asischem d29225 is C16H17NO3.

When was Asischem d29225 created and last modified?

Asischem d29225 was created on 2007-11-13 and last modified on 2023-12-30.

What is the IUPAC Name of Asischem d29225?

The IUPAC Name of Asischem d29225 is methyl 2-[4-(3-formyl-2,5-dimethylpyrrol-1-yl)phenyl]acetate.

What is the Canonical SMILES of Asischem d29225?

The Canonical SMILES of Asischem d29225 is CC1=CC(=C(N1C2=CC=C(C=C2)CC(=O)OC)C)C=O.

What is the InChIKey of Asischem d29225?

The InChIKey of Asischem d29225 is HXANJYAVBOKAHI-UHFFFAOYSA-N.

What is the molecular weight of Asischem d29225?

The molecular weight of Asischem d29225 is 271.31 g/mol.

What is the XLogP3-AA value of Asischem d29225?

The XLogP3-AA value of Asischem d29225 is 2.4.

How many hydrogen bond acceptors are in Asischem d29225?

Asischem d29225 has 3 hydrogen bond acceptors.

How many rotatable bonds does Asischem d29225 have?

Asischem d29225 has 5 rotatable bonds.

Is the compound Is Canonicalized?

Yes, the compound of Asischem d29225 is canonicalized.

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