4442-53-9 | 1,4-Benzodioxan-5-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$7.00	$5.00
5g	97%	in stock	$13.00	$9.00
10g	97%	in stock	$19.00	$14.00
25g	97%	in stock	$45.00	$32.00
100g	97%	in stock	$175.00	$122.00
500g	98%	in stock	$869.00	$608.00

Description

• Catalog Number: AB59881
• Chemical Name: 1,4-Benzodioxan-5-carboxylic acid
• CAS Number: 4442-53-9
• Molecular Formula: C9H8O4
• Molecular Weight: 180.1574
• MDL Number: MFCD00239415
• SMILES: OC(=O)c1cccc2c1OCCO2

Computed Properties

• Complexity: 204
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 1.2

Literature

• Cheminformatics-based drug design approach for identification of inhibitors targeting the characteristic residues of MMP-13 hemopexin domain.

  PloS one 20100101