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Structure

4-Oxazolidinecarboxylic acid,3-acetyl-2-oxo-4-phenyl-

CAS
99155-32-5
Catalog Number
ACM99155325
Category
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What is the molecular formula of the compound?

The molecular formula is C12H11NO5.

What is the molecular weight of the compound?

The molecular weight is 249.22 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-acetyl-2-oxo-4-phenyl-1,3-oxazolidine-4-carboxylic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C12H11NO5/c1-8(14)13-11(17)18-7-12(13,10(15)16)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16).

What is the InChIKey of the compound?

The InChIKey is ORBGCIYCKNPTEK-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(=O)N1C(=O)OCC1(C2=CC=CC=C2)C(=O)O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 0.8.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 5 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 2 rotatable bond counts.

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