CAS 3147-45-3 | 2,4-Dihydroxybenzamide | CAS Number 3147-45-3

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3147-45-3 | 2,4-Dihydroxybenzamide

CAS No: 3147-45-3 Catalog No: AG003B4W MDL No:MFCD00064913

Product Description

Catalog Number:

AG003B4W

Chemical Name:

2,4-Dihydroxybenzamide

CAS Number:

3147-45-3

Molecular Formula:

C7H7NO3

Molecular Weight:

153.1354

MDL Number:

MFCD00064913

IUPAC Name:

2,4-dihydroxybenzamide

InChI:

InChI=1S/C7H7NO3/c8-7(11)5-2-1-4(9)3-6(5)10/h1-3,9-10H,(H2,8,11)

InChI Key:

IIUJCQYKTGNRHH-UHFFFAOYSA-N

SMILES:

Oc1ccc(c(c1)O)C(=O)N

EC Number:

221-567-2

NSC Number:

60728

Properties

Complexity:

160

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

153.043g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

153.137g/mol

Monoisotopic Mass:

153.043g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
DFT and ab initio study of structure of dyes derived from 2-hydroxy and 2,4-dihydroxy benzoic acids.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20080201
FT-IR and NMR spectroscopic studies of salicylic acid derivatives. II. Comparison of 2-hydroxy- and 2,4- and 2,5-dihydroxy derivatives.	Acta pharmaceutica (Zagreb, Croatia) 20040901