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Structure

(2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid

CAS
91957-25-4
Catalog Number
ACM91957254
Category
Other Products
Molecular Weight
217.26
Molecular Formula
C13H15NO2

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Specification

Synonyms
VITAS-BB TBB000112;TIMTEC-BB SBB011363;(2,5,7-TRIMETHYL-1H-INDOL-3-YL)-ACETIC ACID;CHEMBRDG-BB 4006286
What is the molecular formula of (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The molecular formula is C13H15NO2.

What is the molecular weight of (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The molecular weight is 217.26 g/mol.

What is the IUPAC name of (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The IUPAC name is 2-(2,5,7-trimethyl-1H-indol-3-yl)acetic acid.

What is the InChIKey for (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The InChIKey is UEEPPNNQZQTJMO-UHFFFAOYSA-N.

What is the Canonical SMILES representation of (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The Canonical SMILES is CC1=CC(=C2C(=C1)C(=C(N2)C)CC(=O)O)C.

How many hydrogen bond donor counts does (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid have?

It has 2 hydrogen bond donor counts.

What is the exact mass of (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The exact mass is 217.110278721 g/mol.

What is the topological polar surface area of (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

The topological polar surface area is 53.1 Ų.

How many heavy atoms are present in (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid?

There are 16 heavy atoms.

Is (2,5,7-Trimethyl-1H-indol-3-yl)-acetic acid a canonicalized compound?

Yes, the compound is canonicalized.

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