2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid

• Catalog Number: ACMA00000800
• Category: Amines
• Molecular Weight: 204.18
• Molecular Formula: C₁₀H₈NNaO₃S
• Hazard Statements: H319
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound with PubChem CID 348621?

The molecular formula is C10H8N2O3.

What is the molecular weight of the compound?

The molecular weight is 204.18 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)acetic acid.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES is C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)O.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of the compound?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of the compound?

The topological polar surface area is 78.8 Ų.

How many heavy atoms are present in the compound?

The compound has 15 heavy atoms.

Does the compound have any defined atom or bond stereocenters?

The compound has 0 defined atom and bond stereocenters.

Is the compound canonicalized?

Yes, the compound is canonicalized.