What is the molecular formula of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The molecular formula is C8H12N2O2.
What is the molecular weight of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The molecular weight is 168.19 g/mol.
What is the IUPAC name of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The IUPAC name is 1-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]ethanone.
What is the InChI of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The InChI is InChI=1S/C8H12N2O2/c1-6(11)8-4-7(12-9-8)5-10(2)3/h4H,5H2,1-3H3.
What is the InChIKey of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The InChIKey is ONUQBZLGUUKKGV-UHFFFAOYSA-N.
What is the canonical SMILES of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The canonical SMILES is CC(=O)C1=NOC(=C1)CN(C)C.
What is the XLogP3-AA value of Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)?
The XLogP3-AA value is 0.3.
How many hydrogen bond donor counts does Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci) have?
It has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci) have?
It has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci) have?
It has 3 rotatable bond counts.