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4-Phenyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxylic acid

Catalog Number
ACMA00001080
Category
Amines
Molecular Weight
243.26
Molecular Formula
C13H13NO4

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Specification

Hazard Statements
H302
RIDADR
UN 2811 6.1 / PGIII
Symbol
GHS07
What is the molecular formula of the compound?

The molecular formula of the compound is C13H13N3O2.

What are the synonyms of the compound?

The synonyms of the compound are 178456-18-3, 4-Phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid, 4-Phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]-pyridine-6-carboxylic acid, and 4-phenyl-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-6-carboxylic acid.

What is the molecular weight of the compound?

The molecular weight of the compound is 243.26 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 4-phenyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H13N3O2/c17-13(18)10-6-9-12(15-7-14-9)11(16-10)8-4-2-1-3-5-8/h1-5,7,10-11,16H,6H2,(H,14,15)(H,17,18).

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C1C(NC(C2=C1NC=N2)C3=CC=CC=C3)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is -1.4.

How many hydrogen bond donor counts does the compound have?

The compound has 3 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

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