2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid

CAS

902171-52-2

Catalog Number

ACM902171522

Category

Other Products

Molecular Weight

153.135380 [g/mol]

Molecular Formula

C₇H₇NO₃

MSDS COA Spec Sheet

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Specification

Synonyms

4-hydroxy-2-methylnicotinic acid, 2-METHYL-4-OXO-1,4-DIHYDRO-PYRIDINE-3-CARBOXYLIC ACID, 1060806-08-7, 902171-52-2, CTK4A4334, AKOS006326080, AB66885, AG-L-60025, 4-HYDROXY-2-METHYLPYRIDINE-3-CARBOXYLIC ACID

IUPAC Name

2-methyl-4-oxo-1H-pyridine-3-carboxylic acid

Canonical SMILES

CC1=C(C(=O)C=CN1)C(=O)O

InChI Key

RXMXXPJGWYNHDE-UHFFFAOYSA-N

Exact Mass

153.04300

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

The molecular formula of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is C7H7NO3.

What is the molecular weight of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

The molecular weight of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is 153.14 g/mol.

What is the IUPAC name of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

The IUPAC name of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is 2-methyl-4-oxo-1H-pyridine-3-carboxylic acid.

What is the InChIKey of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

The InChIKey of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is RXMXXPJGWYNHDE-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

The Canonical SMILES representation of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is CC1=C(C(=O)C=CN1)C(=O)O.

How many hydrogen bond donor counts are present in 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

There are 2 hydrogen bond donor counts present in 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid.

How many hydrogen bond acceptor counts are present in 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

There are 4 hydrogen bond acceptor counts present in 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid.

What is the XLogP3-AA value of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

The XLogP3-AA value of 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is 0.8.

How many rotatable bond counts are present in 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid?

There is 1 rotatable bond count present in 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid.

Is 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid a canonicalized compound?

Yes, 2-Methyl-4-oxo-1,4-dihydropyridine-3-carboxylic acid is a canonicalized compound.

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