CAS 93-68-5 | 3-Oxo-N-(o-tolyl);butanamide | CAS Number 93-68-5

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93-68-5 | 3-Oxo-N-(o-tolyl);butanamide

CAS No: 93-68-5 Catalog No: AG003HOC MDL No:MFCD00008782

Product Description

Catalog Number:

AG003HOC

Chemical Name:

3-Oxo-N-(o-tolyl);butanamide

CAS Number:

93-68-5

Molecular Formula:

C11H13NO2

Molecular Weight:

191.2264

MDL Number:

MFCD00008782

IUPAC Name:

N-(2-methylphenyl)-3-oxobutanamide

InChI:

InChI=1S/C11H13NO2/c1-8-5-3-4-6-10(8)12-11(14)7-9(2)13/h3-6H,7H2,1-2H3,(H,12,14)

InChI Key:

TVZIWRMELPWPPR-UHFFFAOYSA-N

SMILES:

O=C(Nc1ccccc1C)CC(=O)C

EC Number:

202-267-0

UNII:

MCN1GV8J3R

NSC Number:

7655

Properties

Complexity:

225

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

191.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

191.23g/mol

Monoisotopic Mass:

191.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

46.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Developing biologically active compounds having efficient DNA binding and cleavage activity: spectroscopic investigation.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120701
Synthesis, spectral, catalytic and antimicrobial studies of PPh3/AsPh3 complexes of Ru(II) with dibasic tridentate O, N, S donor ligands.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20070901