CAS 114-63-6 | Benzoic acid, 4-hydroxy-, sodium salt (1:1) | CAS Number 114-63-6

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114-63-6 | Benzoic acid, 4-hydroxy-, sodium salt (1:1)

CAS No: 114-63-6 Catalog No: AG000AA7 MDL No:MFCD00016530

Product Description

Catalog Number:

AG000AA7

Chemical Name:

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

CAS Number:

114-63-6

Molecular Formula:

C7H5NaO3

Molecular Weight:

160.1026

MDL Number:

MFCD00016530

IUPAC Name:

sodium;4-hydroxybenzoate

InChI:

InChI=1S/C7H6O3.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1

InChI Key:

ZLVSYODPTJZFMK-UHFFFAOYSA-M

SMILES:

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

EC Number:

204-051-1

UNII:

V6102T509B

Properties

Complexity:

130

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

160.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

160.104g/mol

Monoisotopic Mass:

160.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.4A^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