CAS
504-29-0 Purity
98%
504-29-0 Purity
98%
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Specification
The molecular formula is C6H7NO.
The molecular weight is 109.13 g/mol.
The IUPAC name is 6-methyl-1H-pyridin-2-one.
The InChI is InChI=1S/C6H7NO/c1-5-3-2-4-6(8)7-5/h2-4H,1H3,(H,7,8).
The InChIKey is JEAVIRYCMBDJIU-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC=CC(=O)N1.
The CAS number is 3279-76-3.
The XLogP3-AA value is 0.6.
It has 1 hydrogen bond donor count.
It has 0 rotatable bond counts.