CAS 555-06-6 | Sodium 4-aminobenzoate | CAS Number 555-06-6

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555-06-6 | Sodium 4-aminobenzoate

CAS No: 555-06-6 Catalog No: AG003KQZ MDL No:MFCD00064395

Product Description

Catalog Number:

AG003KQZ

Chemical Name:

Sodium 4-aminobenzoate

CAS Number:

555-06-6

Molecular Formula:

C7H6NNaO2

Molecular Weight:

159.1178

MDL Number:

MFCD00064395

IUPAC Name:

sodium;4-aminobenzoate

InChI:

InChI=1S/C7H7NO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,8H2,(H,9,10);/q;+1/p-1

InChI Key:

XETSAYZRDCRPJY-UHFFFAOYSA-M

SMILES:

[O-]C(=O)c1ccc(cc1)N.[Na+]

EC Number:

209-080-3

UNII:

75UI7QUZ5J

Properties

Complexity:

132

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

159.03g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

159.12g/mol

Monoisotopic Mass:

159.03g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.2A^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