CAS 29305-16-6 | Benzoic acid, 4-(acetylamino)-, sodium salt (1:1) | CAS Number 29305-16-6

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Amines > 29305-16-6

29305-16-6 | Benzoic acid, 4-(acetylamino)-, sodium salt (1:1)

CAS No: 29305-16-6 Catalog No: AG002Y01 MDL No:

Product Description

Catalog Number:

AG002Y01

Chemical Name:

Benzoic acid, 4-(acetylamino)-, sodium salt (1:1)

CAS Number:

29305-16-6

Molecular Formula:

C9H8NNaO3

Molecular Weight:

201.1545

IUPAC Name:

sodium;4-acetamidobenzoate

InChI:

InChI=1S/C9H9NO3.Na/c1-6(11)10-8-4-2-7(3-5-8)9(12)13;/h2-5H,1H3,(H,10,11)(H,12,13);/q;+1/p-1

InChI Key:

QCTHGBUDZUJILN-UHFFFAOYSA-M

SMILES:

CC(=O)Nc1ccc(cc1)C(=O)[O-].[Na+]

UNII:

IO8823D6X7

Properties

Complexity:

212

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

201.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

201.157g/mol

Monoisotopic Mass:

201.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

Literature

Title	Journal
Carbonic anhydrase inhibitors. Inhibition of the β-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with branched aliphatic/aromatic carboxylates and their derivatives.	Bioorganic & medicinal chemistry letters 20110415