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3-(4-Oxoquinazolin-3(4H)-yl)propanoic acid

Catalog Number
ACMA00000974
Category
Amines
Molecular Weight
218.21
Molecular Formula
C11H9NS

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Specification

Hazard Statements
H302-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?

The molecular formula is C11H10N2O3.

What is the molecular weight of the compound?

The molecular weight is 218.21 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 3-(4-oxoquinazolin-3-yl)propanoic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C11H10N2O3/c14-10(15)5-6-13-7-12-9-4-2-1-3-8(9)11(13)16/h1-4,7H,5-6H2,(H,14,15).

What is the InChIKey of the compound?

The InChIKey is AMEGJBZWDKOWDQ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)O.

What is the CAS number of the compound?

The CAS number is 25818-88-6.

What is the European Community (EC) number of the compound?

The European Community (EC) number is 865-235-0.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL1400834.

What is the XLogP3 value of the compound?

The XLogP3 value is 0.2.

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