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Structure

Ethanone,1-[5-[(dimethylamino)methyl]-3-isoxazolyl]-(9ci)

CAS
92096-08-7
Catalog Number
ACM92096087
Category
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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.

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