3-Carboxymethyl-quinazoline-2,4-dione

• Catalog Number: ACMA00000802
• Category: Amines
• Molecular Weight: 220.18
• Molecular Formula: C₁₀H₈ClNO₂S
• Hazard Statements: H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C10H8N2O4.

What is the molecular weight of the compound?

The molecular weight of the compound is 220.18 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(2,4-dioxo-1H-quinazolin-3-yl)acetic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C10H8N2O4/c13-8(14)5-12-9(15)6-3-1-2-4-7(6)11-10(12)16/h1-4H,5H2,(H,11,16)(H,13,14).

What is the InChIKey of the compound?

The InChIKey of the compound is RQQGYSJFFRKGNY-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is
C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CC(=O)O.

What is the CAS number of the compound?

The CAS number of the compound is 78754-94-6.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 0.2.

How many hydrogen bond donor counts does the compound have?

The compound has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.