3-Benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester

• Catalog Number: ACMA00002201
• Category: Ethers
• Molecular Weight: 222.19
• Hazard Statements: H302
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 2756587?

The molecular formula is C11H10O5.

What is the molecular weight of the compound?

The molecular weight is 222.19 g/mol.

What are some synonyms for the compound with PubChem CID 2756587?

Some synonyms include 3-benzo[1,3]dioxol-5-yl-3-oxo-propionic acid methyl ester and methyl 3-(1,3-benzodioxol-5-yl)-3-oxopropanoate.

What is the InChIKey of the compound?

The InChIKey is QYNFBQXZTZKAEB-UHFFFAOYSA-N.

How many hydrogen bond acceptors does the compound have?

The compound has 5 hydrogen bond acceptors.

What is the topological polar surface area of the compound?

The topological polar surface area is 61.8Ų.

Does the compound have any defined atom stereocenters?

No, the compound does not have any defined atom stereocenters.

How many rotatable bonds does the compound have?

The compound has 4 rotatable bonds.

What is the XLogP3 value of the compound?

The XLogP3 value is 0.7.

Is the compound canonicalized?

Yes, the compound is canonicalized.